Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PGR | P06401 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3242209 | 0.81 | SOD1 (0.43) | CYP3A4CYP2D6PGRALDH1A1 | |
| SCHEMBL4253122 | 0.79 | FBP1 (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19LMNA | |
| SCHEMBL3247012 | 0.79 | ALDH1A1 (0.50) | CYP3A4MEN1ALDH1A1KMT2AMMP2 | |
| SCHEMBL30583823 | 0.79 | KMT2A (0.50) | MAPTMEN1ALDH1A1KMT2AFBP1 | |
| SCHEMBL2449532 | 0.79 | ATM (0.42) | PGRMEN1KMT2AMMP2CTSL | |
| SCHEMBL2320239 | 0.79 | CA12 (0.42) | PGRMEN1KMT2ANFE2L2 | |
| SCHEMBL29934127 | 0.79 | HSD17B1 (0.43) | CYP3A4LMNAALDH1A1MMP2PKM | |
| SCHEMBL19707163 | 0.79 | HSD17B1 (0.43) | CYP3A4LMNAALDH1A1MMP2PKM | |
| SCHEMBL7140024 | 0.79 | KMT2A (0.50) | MAPTMEN1ALDH1A1KMT2AFBP1 | |
| SCHEMBL7951191 | 0.79 | LMNA (0.55) | CYP3A4LMNATDP1ALDH1A1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116675663-A | Preparation method of coumarin compound and application of coumarin compound in neuroprotection | 兰州交通大学 | 2023-09-01 | — | — | CN | claimed |
| EP-0941994-B1 | Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity | HOFFMANN LA ROCHE (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-6194410-B1 | ANTISEROTONINE AGENTS; NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS | HOFFMAN-LA ROCHE INC. | 2001-02-27 | — | — | US | disclosed |
| EP-0941994-A1 | Pyrazolopyrimidines and pyrazolotriazines with 5-HT6 receptor affinity | F. HOFFMANN-LA ROCHE AG (CH) | 1999-09-15 | — | — | EP | disclosed |