Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | HPGD | P15428 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.57 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.56 |
| ▸ | MMP2 | P08253 | 1/20 | 0.53 |
| ▸ | MMP9 | P14780 | 1/20 | 0.53 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 1/20 | 0.53 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.50 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6124304 | 0.95 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL12172367 | 0.89 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3336231 | 0.88 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL31289459 | 0.88 | NPC1 (0.66) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL3335064 | 0.87 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL11911271 | 0.86 | NPC1 (0.59) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL14494924 | 0.86 | NPC1 (0.60) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL20806658 | 0.85 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL7574964 | 0.84 | NPC1 (0.58) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL124236 | 0.84 | NPBWR1 (0.49) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3010906-B1 | BENZIMIDAZOLE DERIVATIVES AS SELECTIVE PROTEIN KINASE INHIBITORS | AB SCIENCE (FR) | 2019-06-12 | — | — | EP | disclosed |