Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.47 |
| ▸ | ITK | Q08881 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | CASP3 | P42574 | 2/20 | 0.44 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.44 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.44 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL374022 | 0.73 | RAB9A (0.74) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL29631691 | 0.73 | RAB9A (0.74) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL28399450 | 0.69 | RAB9A (0.61) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL5051826 | 0.68 | KDR (0.68) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL5053299 | 0.68 | NPC1 (0.87) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL23641151 | 0.67 | GSK3B (0.62) | RAB9ANPC1CYP19A1ITKALDH1A1 | |
| SCHEMBL8033668 | 0.67 | HDAC6 (0.34) | KDM4EMAPTGAA | |
| SCHEMBL8048510 | 0.67 | MMP12 (0.33) | — | |
| SCHEMBL8034315 | 0.67 | MMP12 (0.32) | — | |
| SCHEMBL28416625 | 0.66 | NPC1 (0.83) | RAB9ANPC1CYP19A1ITKALDH1A1 |
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 1 patent. 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 |