Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | ELANE | P08246 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL19716281 | 0.87 | NPC1 (0.48) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL3076334 | 0.86 | NPC1 (0.47) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL3082411 | 0.85 | NPC1 (0.46) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL3083355 | 0.85 | NPC1 (0.46) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL5363475 | 0.84 | KDM4E (0.48) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL19730343 | 0.79 | UCHL1 (0.42) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL4376014 | 0.78 | TSHR (0.45) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL19277273 | 0.77 | NPC1 (0.43) | NPC1RAB9AALDH1A1ELANEKDM4E | |
| SCHEMBL23496544 | 0.77 | NPC1 (0.48) | NPC1RAB9AALDH1A1ELANEHSD17B10 | |
| SCHEMBL1562700 | 0.77 | MAPT (0.45) | NPC1RAB9AALDH1A1ELANEHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |