Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 6/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8038778 | 0.81 | RAB9A (0.51) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8033845 | 0.78 | ATM (0.56) | RAB9ANPC1MEN1KMT2AMAPK1 | |
| SCHEMBL8040180 | 0.78 | S1PR1 (0.58) | RAB9ANPC1MEN1KMT2ACYP3A4 | |
| SCHEMBL8037447 | 0.77 | S1PR1 (0.41) | GAAMAPK1MAPTKDM4ES1PR1 | |
| SCHEMBL8037438 | 0.76 | S1PR1 (0.45) | SMN1; SMN2GAALMNAMAPK1ALDH1A1 | |
| SCHEMBL6371378 | 0.74 | MEN1 (0.69) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL8040252 | 0.74 | ALDH1A1 (0.41) | GAALMNAMAPTALDH1A1KDM4E | |
| SCHEMBL8037415 | 0.74 | S1PR1 (0.41) | MEN1KMT2AGAAALDH1A1S1PR1 | |
| SCHEMBL8025554 | 0.73 | MTNR1A (0.42) | CYP1A2CYP3A4HSD17B10KDM4ES1PR1 | |
| SCHEMBL8041411 | 0.73 | S1PR1 (0.43) | TP53MAPTALDH1A1KDM4ERXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |