Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 7/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | IGF1R | P08069 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 5/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.53 |
| ▸ | RELA | Q04206 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL11086316 | 0.81 | MEN1 (0.53) | ADORA3MEN1KMT2AGAACYP3A4 | |
| SCHEMBL9527461 | 0.79 | ADORA3 (0.61) | ADORA3MEN1KMT2AGAACYP3A4 | |
| SCHEMBL11030464 | 0.78 | CYP3A4 (0.58) | ADORA3MEN1KMT2AGAACYP3A4 | |
| Acetic Acid SCHEMBL11085954 | 0.77 | CYP3A4 (0.57) | ADORA3MEN1KMT2AGAACYP3A4 | |
| SCHEMBL9199891 | 0.76 | LMNA (0.60) | ADORA3MEN1KMT2AGAACYP3A4 | |
| SCHEMBL11050489 | 0.76 | RAB9A (0.66) | ADORA3MEN1KMT2ACYP3A4NPC1 | |
| SCHEMBL11056730 | 0.75 | PDE10A (0.67) | MEN1KMT2AGAAMAPTALDH1A1 | |
| SCHEMBL13597991 | 0.74 | KMT2A (0.67) | ADORA3MEN1KMT2AGAANPC1 | |
| SCHEMBL10388269 | 0.73 | ADORA3 (0.58) | ADORA3MEN1KMT2AGAACYP3A4 | |
| SCHEMBL15154575 | 0.73 | NPC1 (0.68) | MEN1KMT2AGAANPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4450167-A | TRANQUILIZERS; PSYCHOLOGICAL DISORDERS | ROUSSEL UCLAF (FR) | 1984-05-22 | — | — | US | disclosed |
| EP-0070767-A1 | Quinoline derivatives, their salts, their preparation, their use as medicines and compositions containing them | ROUSSEL-UCLAF (FR) | 1983-01-26 | — | — | EP | disclosed |