Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8047835 | 0.87 | KMT2A (0.49) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8042759 | 0.86 | NPC1 (0.43) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8051528 | 0.84 | USP2 (0.45) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8044607 | 0.84 | KMT2A (0.40) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8044457 | 0.83 | HDAC6 (0.57) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8051692 | 0.82 | KDM4E (0.38) | NPC1RAB9AALDH1A1CYP3A4GAA | |
| SCHEMBL8050087 | 0.82 | KMT2A (0.40) | NPC1RAB9AALDH1A1GAATSHR | |
| SCHEMBL8043654 | 0.79 | TSHR (0.52) | ALDH1A1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL8050094 | 0.79 | NPC1 (0.44) | NPC1RAB9AALDH1A1TSHRKDM4E | |
| SCHEMBL8051531 | 0.78 | ALDH1A1 (0.45) | NPC1RAB9AALDH1A1CYP3A4GAA |
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 |