Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | RAF1 | P04049 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980713 | 0.94 | KDM4E (0.45) | PDPK1ALDH1A1KDM4EMAPTSENP1 | |
| SCHEMBL436224 | 0.93 | ROCK2 (0.41) | ROCK2ALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL31094025 | 0.93 | ROCK2 (0.41) | ROCK2ALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL436223 | 0.93 | ROCK2 (0.41) | ROCK2ALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL7984825 | 0.91 | ROCK2 (0.41) | PDPK1ROCK2CYP3A4CYP2C19 | |
| SCHEMBL23252178 | 0.91 | KDM4E (0.49) | PDPK1AURKARAF1ALDH1A1KDM4E | |
| SCHEMBL7970844 | 0.91 | ALDH1A1 (0.44) | PDPK1AURKARAF1ALDH1A1KDM4E | |
| SCHEMBL14587215 | 0.90 | ROCK2 (0.40) | PDPK1ROCK2ALDH1A1MEN1KMT2A | |
| SCHEMBL4611898 | 0.90 | ROCK2 (0.40) | PDPK1ROCK2ALDH1A1MEN1KMT2A | |
| SCHEMBL4611892 | 0.90 | ROCK2 (0.40) | PDPK1ROCK2ALDH1A1MEN1KMT2A |
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-6169106-B1 | ANTITUMOUR AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-01-02 | — | — | US | disclosed |