Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CCR3 | P51677 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11089789 | 1.00 | NPC1 (0.53) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11081096 | 0.88 | POLB (0.57) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11081100 | 0.88 | POLB (0.57) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11080341 | 0.84 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11080354 | 0.84 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11083798 | 0.84 | CYP1A2 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11083801 | 0.84 | CYP1A2 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11084370 | 0.82 | POLB (0.66) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11083468 | 0.82 | KMT2A (0.70) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11084367 | 0.82 | POLB (0.66) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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 |