Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GCGR | P47871 | 1/20 | 0.41 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL3048656 | 1.00 | NPC1 (0.43) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL10188109 | 0.92 | DRD4 (0.46) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL8488392 | 0.86 | ALDH1A1 (0.42) | NPC1RAB9ADRD4ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL8489162 | 0.85 | ALDH1A1 (0.44) | NPC1RAB9ADRD4ALDH1A1HPGD | |
| SCHEMBL3052373 | 0.85 | RAB9A (0.44) | NPC1RAB9ADRD4ALDH1A1HPGD | |
| SCHEMBL4364284 | 0.85 | EPHA2 (0.46) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL3182576 | 0.83 | DRD4 (0.50) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL23537707 | 0.82 | DRD4 (0.38) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL30127002 | 0.82 | DRD4 (0.38) | NPC1RAB9ACASP3SENP7DRD4 | |
| SCHEMBL10549228 | 0.82 | ALDH1A1 (0.45) | NPC1RAB9ACASP3SENP7DRD4 |
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-2022266426-A1 | 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF | BLACK DIAMOND THERAPEUTICS, INC. (US) | 2022-12-22 | — | — | WO | disclosed |