Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29093974 | 0.98 | TAAR1 (0.50) | TAAR1AOC3MLYCDSIGMAR1ALDH1A1 | |
| Iodide SCHEMBL31550892 | 0.98 | TAAR1 (0.50) | TAAR1AOC3MLYCDSIGMAR1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5408807 | 0.98 | TAAR1 (0.50) | TAAR1AOC3MLYCDSIGMAR1ALDH1A1 | |
| SCHEMBL3335386 | 0.84 | SIGMAR1 (0.58) | SIGMAR1 | |
| SCHEMBL29029103 | 0.78 | TAAR1 (0.48) | TAAR1AOC3MLYCDSIGMAR1ALDH1A1 | |
| SCHEMBL28520296 | 0.77 | MLYCD (0.44) | TAAR1AOC3MLYCDALDH1A1NR1H2 | |
| SCHEMBL18554619 | 0.77 | TAAR1 (0.47) | TAAR1AOC3MLYCDSIGMAR1ALDH1A1 | |
| SCHEMBL3736957 | 0.76 | ALDH1A1 (0.48) | AOC3ALDH1A1NR1H2NR1H3MEN1 | |
| Hydrochloric Acid SCHEMBL4483825 | 0.74 | ALDH1A1 (0.46) | AOC3ALDH1A1NR1H2NR1H3MEN1 | |
| Iodide SCHEMBL29093986 | 0.74 | ALDH1A1 (0.46) | AOC3ALDH1A1NR1H2NR1H3MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7247725-B2 | Gamma-aminoamide modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2007-07-24 | — | — | US | disclosed |
| EP-1558250-A4 | GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-11-02 | — | — | EP | disclosed |
| US-20050261325-A1 | Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis | MERCK SHARP & DOHME CORP. | 2005-11-24 | — | — | US | disclosed |
| EP-1558250-A1 | GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-08-03 | — | — | EP | disclosed |
| WO-2004041279-A1 | GAMMA-AMINOAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-05-21 | — | — | WO | 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 (1 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-20050261325-A1 | Especially N-(3-carbonylamino3-substituted-propyl)spiro(indene- or indane-2,4'-piperidine derivatives, useful in treatment of inflammatory and immunoregulatory disorders, allergic diseases, atopic conditions, autoimmune disorders and atherosclerosis | CCR1, CCR3, CCR2 | TAAR1 121/4885AOC3 1625/4885MLYCD 4858/4885 |
“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.