Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.35 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.35 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.35 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL22871613 | 0.87 | CYP3A4 (0.57) | CYP3A4TDP1ESR1ESR2CA1 | |
| Hydrochloric Acid SCHEMBL5143704 | 0.85 | CYP3A4 (0.55) | CYP3A4TDP1ESR1ESR2CA1 | |
| (Chloromethyl)Benzene SCHEMBL11209021 | 0.85 | PLA2G1B (0.48) | PLA2G1BATG4BIDO1LOXL2CYP11B1 | |
| (Chloromethyl)Benzene SCHEMBL304085 | 0.85 | CYP3A4 (0.60) | CYP3A4TDP1ESR1ESR2IDO1 | |
| SCHEMBL6201046 | 0.82 | TDP1 (0.50) | CYP3A4TDP1ESR1ESR2IDO1 | |
| SCHEMBL10874458 | 0.80 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL18702923 | 0.80 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL2543676 | 0.80 | CYP3A4 (0.67) | CYP3A4TDP1ESR1ESR2CA1 | |
| SCHEMBL1503288 | 0.80 | ALDH1A1 (0.50) | CYP3A4TDP1ESR1ESR2PLA2G1B | |
| SCHEMBL15201702 | 0.80 | TP53 (0.50) | CYP3A4TDP1ESR1ESR2CA1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8791102-B2 | Acetanilide sphingosine-1-phosphate receptor antagonists | EXELIXIS, INC. (US) | 2014-07-29 | — | — | US | disclosed |
| EP-1257544-B1 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMA (US) | 2012-07-25 | — | — | EP | disclosed |
| EP-1765778-B1 | N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS | ABBOTT LAB (US) | 2012-01-25 | — | — | EP | disclosed |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | EXELIXIS, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| EP-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| US-7902252-B2 | Inhibitors of D-amino acid oxidase | SEPRACOR, INC. (US) | 2011-03-08 | — | — | US | disclosed |
| WO-2011011330-A2 | INHIBITORS OF D-AMINO ACID OXIDASE | SEPRACOR INC. (US) | 2011-01-27 | — | — | WO | disclosed |
| EP-2029601-B1 | PYRIDOPYRIMIDINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-06-02 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| US-20100035879-A1 | N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS | ABBOTT LABORATORIES | 2010-02-11 | — | — | US | disclosed |
| EP-1296949-A2 | PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2003-04-02 | — | — | EP | disclosed |
| EP-1257544-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | Vertex Pharmaceuticals Incorporated (US) | 2002-11-20 | — | — | EP | disclosed |
| US-20020128263-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | F.HOFFMANN-LA ROCHE AG (CH) | 2002-09-12 | — | — | US | disclosed |
| EP-1220836-A2 | BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2002-07-10 | — | — | EP | disclosed |
| WO-2002046166-A1 | PHENYLETHENYL OR PHENYLETHINYL DERIVATIVES AS GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-13 | — | — | WO | disclosed |
| WO-2002026706-A2 | 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2002-04-04 | — | — | WO | disclosed |
| WO-2001098268-A2 | PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-12-27 | — | — | WO | disclosed |
| WO-2001058891-A2 | PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-08-16 | — | — | WO | disclosed |
| WO-2001028987-A1 | BENZYLCYCLOALKYL AMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | DU PONT PHARMACEUTICALS COMPANY (US) | 2001-04-26 | — | — | WO | disclosed |
| EP-0377532-A1 | Thioformamide derivatives | MAY AND BAKER LIMITED (GB) | 1990-07-11 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100035879-A1 | N-SULFONYLCARBOXIMIDAMIDE APOPTOSIS PROMOTERS | BAX, BCL2, BAD | CYP3A4 3801/4885TDP1 545/4885ESR1 1490/4885 |
| US-20020128263-A1 | Phenylethynyl and styryl derivatives of imidazole and fused ring heterocycles | GRM5, GRIK5, GRM1 | CYP3A4 1634/4885TDP1 3819/4885ESR1 985/4885 |
| US-20110288076-A1 | Sphingosine-1-Phosphate Receptor Antagonists | S1PR1, S1PR2, S1PR3 | CYP3A4 4784/4885TDP1 2286/4885ESR1 2822/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.