Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GPR55 | Q9Y2T6 | 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 | |
|---|---|---|---|---|
| SCHEMBL9423154 | 0.73 | LMNA (0.43) | CYP1A2HIF1ALMNAALDH1A1 | |
| SCHEMBL17480820 | 0.69 | CYP1A2 (0.44) | CYP1A2CYP2C9MAPK1HIF1ASHBG | |
| SCHEMBL305339 | 0.66 | CALM1 (0.52) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL382020 | 0.66 | PTPN1 (0.36) | ALDH1A1 | |
| Phenylacetic Acid SCHEMBL8860243 | 0.66 | AKR1B1 (0.65) | LMNAALDH1A1 | |
| SCHEMBL16149017 | 0.66 | CYP1A2 (0.47) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL8530970 | 0.66 | PTGS2 (0.52) | CYP1A2CYP2C9MAPK1HIF1ASHBG | |
| SCHEMBL16432883 | 0.66 | CTRB1 (0.39) | CYP1A2CYP2C9MAPK1HIF1ACALM1 | |
| SCHEMBL3895689 | 0.64 | TSHR (0.47) | CYP1A2CYP2C9MAPK1HIF1AIDH1 | |
| SCHEMBL257301 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6060600-A | TREATMENT OF AIDS AND OTHER DISEASES CAUSED BY RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| US-5977169-A | FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES | PHARMACIA & UPJOHN COMPANY | 1999-11-02 | — | — | US | disclosed |
| EP-0817786-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1998-01-14 | — | — | EP | disclosed |
| WO-1996029333-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1996-09-26 | — | — | WO | disclosed |
| EP-0720607-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | PHARMACIA & UPJOHN COMPANY (US) | 1996-07-10 | — | — | EP | disclosed |
| WO-1995007901-A1 | SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES | THE UPJOHN COMPANY (US) | 1995-03-23 | — | — | WO | disclosed |