Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 9/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4185645 | 0.89 | KMT2A (0.51) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10642276 | 0.84 | FBP1 (0.51) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17277540 | 0.83 | KMT2A (0.49) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5181113 | 0.82 | KMT2A (0.55) | KMT2AALDH1A1FBP1HCRTR2CNR2 | |
| SCHEMBL10569534 | 0.81 | GLA (0.43) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6098155 | 0.80 | KMT2A (0.58) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL29650218 | 0.79 | MGLL (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19PKM | |
| SCHEMBL19692836 | 0.79 | MGLL (0.43) | ALDH1A1CYP3A4CYP2C9CYP2C19PKM | |
| SCHEMBL5636466 | 0.79 | NFE2L2 (0.43) | KMT2AHCRTR2MEN1 | |
| SCHEMBL27856386 | 0.79 | KMT2A (0.45) | KMT2AALDH1A1CYP3A4CYP2C9CYP2C19 |
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-4810706-A | ANTIHISTAMINES | RECHERCHE SYNTEX (FR) | 1989-03-07 | — | — | US | disclosed |
| EP-0227077-A1 | Piperazine derivatives of theophylline and theobromine | LABORATOIRES SYNTEX S.A. (FR) | 1987-07-01 | — | — | EP | disclosed |