Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11089197 | 1.00 | MEN1 (0.58) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11078402 | 0.92 | MEN1 (0.68) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11078388 | 0.92 | MEN1 (0.68) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11081596 | 0.92 | MEN1 (0.63) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11081592 | 0.92 | MEN1 (0.63) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11080341 | 0.89 | NPC1 (0.56) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11080354 | 0.89 | NPC1 (0.56) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11083339 | 0.88 | RAB9A (0.55) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11083341 | 0.88 | RAB9A (0.55) | MEN1KMT2AALDH1A1KDM4EHPGD | |
| SCHEMBL11090753 | 0.87 | MEN1 (0.58) | MEN1KMT2AALDH1A1SMN1; SMN2RAB9A |
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 |