Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044462 | 0.84 | ALDH1A1 (0.48) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL8042860 | 0.81 | HDAC6 (0.44) | HDAC6RAB9ASMN1; SMN2ADORA3PTK2 | |
| SCHEMBL8044315 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL8043803 | 0.80 | HDAC6 (0.41) | HDAC6MAPTRAB9ASMN1; SMN2TSHR | |
| SCHEMBL8046377 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL8043654 | 0.79 | TSHR (0.52) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL8042586 | 0.79 | RPA1 (0.47) | KDM4EHDAC6MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL8032431 | 0.79 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECYP1A2CYP2C9 | |
| SCHEMBL8045350 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1HDAC6MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL8049866 | 0.76 | PKM (0.45) | ALDH1A1HPGDKDM4EHDAC6CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |
| WO-1998027092-A1 | THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION | SUGEN, INC. (US) | 1998-06-25 | — | — | WO | disclosed |