Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078868 | 0.93 | CCR3 (0.64) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11078870 | 0.93 | CCR3 (0.64) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11083270 | 0.88 | MEN1 (0.57) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11083267 | 0.88 | MEN1 (0.57) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11085066 | 0.87 | RAB9A (0.54) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11085063 | 0.87 | RAB9A (0.54) | CCR3CYP1A2NPC1RAB9ACYP3A4 | |
| SCHEMBL11081409 | 0.85 | RAB9A (0.60) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 | |
| SCHEMBL11081408 | 0.85 | RAB9A (0.60) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 | |
| SCHEMBL10857507 | 0.84 | MEN1 (0.60) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 | |
| SCHEMBL10857514 | 0.84 | MEN1 (0.60) | CYP1A2NPC1RAB9ACYP3A4CYP2D6 |
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 |