Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | P2RX5 | Q93086 | 1/20 | 0.38 |
| ▸ | P2RX4 | Q99571 | 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 | |
|---|---|---|---|---|
| SCHEMBL6565603 | 0.99 | ALDH1A1 (0.48) | ALDH1A1KDM4EHPGDCYP2D6CYP2C9 | |
| SCHEMBL6524252 | 0.75 | NPC1 (0.43) | ALDH1A1KDM4ECYP2D6CYP2C9TSHR | |
| SCHEMBL3040773 | 0.73 | MELK (0.42) | — | |
| SCHEMBL629422 | 0.73 | MELK (0.42) | — | |
| SCHEMBL629426 | 0.73 | MELK (0.42) | — | |
| SCHEMBL4347065 | 0.72 | RAB9A (0.66) | ALDH1A1CYP2C9TSHRMEN1KMT2A | |
| SCHEMBL6568641 | 0.71 | S1PR1 (0.53) | ALDH1A1KDM4EHPGDTSHRS1PR1 | |
| SCHEMBL4349382 | 0.70 | GAA (0.45) | S1PR1ATMMEN1KMT2ARAB9A | |
| SCHEMBL4344466 | 0.70 | KMT2A (0.46) | ALDH1A1HPGDTSHRMEN1KMT2A | |
| SCHEMBL629715 | 0.70 | MELK (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |