Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CMA1 | P23946 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5640700 | 0.87 | HDAC1 (0.55) | ALDH1A1TDP1HDAC2HDAC8HDAC6 | |
| SCHEMBL28707472 | 0.84 | FFAR1 (0.67) | HDAC6NPC1RAB9ALMNAFFAR1 | |
| SCHEMBL28791394 | 0.80 | ESR1 (0.54) | ALDH1A1TDP1HDAC2HDAC8KDM4E | |
| SCHEMBL3248618 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CMA1KEAP1TDP1HDAC2 | |
| Methyl 3-Phenylpropanoate SCHEMBL168711 | 0.78 | TDP1 (0.68) | ALDH1A1CMA1KEAP1TDP1HDAC2 | |
| Hydrochloric Acid SCHEMBL3248613 | 0.77 | CMA1 (0.49) | ALDH1A1CMA1KEAP1TDP1HDAC2 | |
| Methyl 3-Phenylpropanoate SCHEMBL1893702 | 0.77 | TDP1 (0.66) | ALDH1A1CMA1KEAP1TDP1HDAC2 | |
| SCHEMBL2154441 | 0.76 | CES1 (0.48) | ALDH1A1HDAC8HDAC6NPC1RAB9A | |
| SCHEMBL991969 | 0.75 | ALDH1A1 (0.57) | ALDH1A1CMA1KEAP1TDP1HDAC2 | |
| Methyl 3-Phenylpropanoate SCHEMBL17748824 | 0.75 | TDP1 (0.63) | ALDH1A1CMA1KEAP1TDP1HDAC2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183296-B2 | Anti-HIV pyrazole derivatives | ROCHE PALO ALTO LLC (US) | 2007-02-27 | — | — | US | disclosed |
| EP-1341766-B1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | HOFFMANN LA ROCHE (CH) | 2005-10-26 | — | — | EP | disclosed |
| US-20040192752-A1 | Anti-HIV pyrazole derivatives | DYMOCK BRIAN WILLIAM (GB) | 2004-09-30 | — | — | US | disclosed |
| US-6699887-B2 | ADMINISTERING A THERAPEUTICALLY EFFECTIVE AMOUNT OF A PYRRAZOLE SULFIDE OR ETHER COMPOUND TO TREAT THE HUMAN IMMUNODEFICIENCY VIRUS INFECTION | HOFFMANN-LA ROCHE INC. | 2004-03-02 | — | — | US | disclosed |
| EP-1341766-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-10 | — | — | EP | disclosed |
| EP-1326843-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. Hoffmann-La Roche AG (CH) | 2003-07-16 | — | — | EP | disclosed |
| US-6518293-B2 | Inhibitors of the human immunodeficiency virus reverse transcriptase enzyme which is involved in viral replication. | HOFFMANN-LA ROCHE INC. | 2003-02-11 | — | — | US | disclosed |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | HOFFMANN-LA ROCHE INC. | 2003-01-23 | — | — | US | disclosed |
| US-20020107272-A1 | Anti-HIV imidazolone derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2002-08-08 | — | — | US | disclosed |
| WO-2002042279-A1 | IMIDAZOLONE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-05-30 | — | — | WO | disclosed |
| WO-2002030907-A1 | PYRAZOLE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | WO | disclosed |
| US-5034301-A | Optical recording media on a support for light or heat sensitive element | CANON KABUSHIKI KAISHA (JP) | 1991-07-23 | — | — | US | 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-20040192752-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | ALDH1A1 676/4885CMA1 1371/4885KEAP1 3797/4885 |
| US-20020107272-A1 | Anti-HIV imidazolone derivatives | EIF2AK2, IMPDH1, POLR2E | ALDH1A1 2052/4885CMA1 2203/4885KEAP1 3863/4885 |
| US-20030018197-A1 | Anti-HIV pyrazole derivatives | CYP51A1, TYMP, POLRMT | ALDH1A1 676/4885CMA1 1371/4885KEAP1 3797/4885 |
“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.