Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.57 |
| ▸ | CCR3 | P51677 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11086290 | 1.00 | NPC1 (0.61) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11084837 | 0.93 | SMN1; SMN2 (0.60) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11084839 | 0.93 | SMN1; SMN2 (0.60) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11090599 | 0.87 | MEN1 (0.67) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11081499 | 0.87 | NPC1 (0.57) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11081502 | 0.87 | NPC1 (0.57) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11090598 | 0.87 | MEN1 (0.67) | NPC1RAB9AALOX5SMN1; SMN2CYP1A2 | |
| SCHEMBL11080439 | 0.85 | KMT2A (0.70) | NPC1RAB9AALOX5MAPTMEN1 | |
| SCHEMBL11083339 | 0.85 | RAB9A (0.55) | NPC1RAB9AALOX5MAPTMEN1 | |
| SCHEMBL11080441 | 0.85 | KMT2A (0.70) | NPC1RAB9AALOX5MAPTMEN1 |
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-4428952-A | Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers | FARMITALIA CARLO ERBA S.P.A. (IT) | 1984-01-31 | — | — | US | disclosed |