Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | PRF1 | P14222 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14205697 | 0.83 | TP53 (0.44) | CYP3A4CYP2C19PRF1HSD17B1HSD17B2 | |
| SCHEMBL9538845 | 0.82 | APP (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL70783 | 0.81 | APP (0.67) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL19741486 | 0.81 | HSD17B1 (0.56) | CYP3A4CYP2C19HSD17B1HSD17B2MAPT | |
| SCHEMBL2019002 | 0.79 | PRF1 (0.56) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL5760473 | 0.79 | CYP2E1 (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL9199395 | 0.79 | CYP2E1 (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL2016059 | 0.79 | HSD17B1 (0.56) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL10622848 | 0.79 | HSD17B1 (0.44) | CYP3A4CYP2C19HSD17B1HSD17B2MAPT | |
| SCHEMBL12177801 | 0.79 | HDAC6 (0.55) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103694195-A | Heterocyclic aromatic micromolecule organic compounds and derivatives, preparation method and medical application | UNIV EAST CHINA NORMAL | 2014-04-02 | — | — | CN | disclosed |
| US-20100216762-A1 | Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2010-08-26 | — | — | US | disclosed |
| US-20100216762-A1 | Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof | ABBOTT LABORATORIES (US) | 2010-08-26 | — | — | US | disclosed |
| WO-2010093704-A1 | AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF | ABBOTT LABORATORIES (US) | 2010-08-19 | — | — | WO | disclosed |
| US-7459564-B2 | Substituted biaryl compounds as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-02 | — | — | US | disclosed |
| EP-0690863-B1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 2003-03-05 | — | — | EP | disclosed |
| US-5597832-A | TREATMENT OF NEUROLOGICAL, PSYCHOLOGICAL, CARDIOVASCULAR DISORDERS, AND SUBSTANCE ABUSE, BEHAVIOR DISORDERS, COGNITIVE IMPAIRMENT AND ATTENTION DEFICIT DISORDER | ABBOTT LABORATORIES (US) | 1997-01-28 | — | — | US | disclosed |
| EP-0690863-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1996-01-10 | — | — | EP | disclosed |
| EP-0690863-A4 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LAB (US) | 1995-11-07 | — | — | EP | disclosed |
| WO-1994022858-A1 | TETRACYCLIC COMPOUNDS AS DOPAMINE AGONISTS | ABBOTT LABORATORIES (US) | 1994-10-13 | — | — | 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-20100216762-A1 | Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof | S1PR5, LPAR5, S1PR1 | CYP2A6 3123/4885CYP2E1 4127/4885CYP3A4 4551/4885 |
“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.