Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | GABRP | O00591 | 1/20 | 0.49 |
| ▸ | GABRD | O14764 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2806074 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL31724652 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL5725833 | 0.81 | CYP1A2 (0.56) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL358332 | 0.81 | CYP1A2 (0.61) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL18722262 | 0.80 | SRC (0.56) | MAPK1LMNASRCALDH1A1HPGD | |
| SCHEMBL9416647 | 0.79 | ROCK2 (0.65) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL934634 | 0.79 | CYP3A4 (0.53) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL22026435 | 0.79 | CYP1A2 (0.62) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL14289839 | 0.79 | CYP1A2 (0.53) | CYP1A2CYP3A4PKMALOX15NFKB1 | |
| SCHEMBL8480688 | 0.79 | PKM (0.53) | CYP1A2CYP3A4PKMALOX15NFKB1 |
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-9616064-B2 | Rho kinase inhibitors and methods of use | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2017-04-11 | — | — | US | disclosed |