Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.58 |
| ▸ | RAB9A | P51151 | 9/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.56 |
| ▸ | HPGD | P15428 | 8/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | METAP2 | P50579 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12119478 | 0.79 | NPC1 (0.60) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL23566014 | 0.78 | KDM4E (0.69) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL105095 | 0.75 | NPC1 (1.00) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| Benzene SCHEMBL28005151 | 0.75 | NPC1 (1.00) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL15090492 | 0.75 | HSD17B1 (0.58) | NPC1RAB9AKDM4EALDH1A1HPGD | |
| SCHEMBL4775610 | 0.73 | NPC1 (0.96) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL467859 | 0.73 | NPC1 (0.96) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| Potassium SCHEMBL4891434 | 0.73 | NPC1 (0.96) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL2147022 | 0.73 | NPC1 (0.96) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL27926515 | 0.73 | NPC1 (0.96) | NPC1RAB9AGAAKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5958950-A | CARDIOVASCULAR DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-09-28 | — | — | US | claimed |
| US-5958950-A | CARDIOVASCULAR DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-09-28 | — | — | US | disclosed |
| WO-1997012615-A1 | BENZIMIDAZOLE DERIVATIVES AS 15-LO INHIBITORS | WARNER-LAMBERT COMPANY (US) | 1997-04-10 | — | — | WO | disclosed |