Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 5/20 | 0.43 |
| ▸ | MAPK9 | P45984 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8044209 | 0.85 | TSHR (0.56) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL8044235 | 0.85 | TSHR (0.43) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL8714065 | 0.84 | TSHR (0.40) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL8050072 | 0.82 | NPC1 (0.57) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL8041833 | 0.82 | ALDH1A1 (0.46) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL8051909 | 0.82 | TSHR (0.42) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL8043060 | 0.81 | TSHR (0.46) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL8042746 | 0.81 | TSHR (0.44) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL8044458 | 0.81 | TSHR (0.44) | NPC1RAB9ATLR9AGTR1MEN1 | |
| SCHEMBL7850363 | 0.81 | NPSR1 (0.49) | NPC1RAB9ATLR9AGTR1MEN1 |
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 |