Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.48 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13575617 | 0.93 | ALDH1A1 (0.54) | ALDH1A1TP53KMT2AHPGDMEN1 | |
| SCHEMBL1559022 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL14454254 | 0.87 | TP53 (0.58) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL15657138 | 0.85 | ALDH1A1 (0.64) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL3109286 | 0.84 | TP53 (0.53) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL24163444 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL20982469 | 0.82 | ALDH1A1 (0.55) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL13575527 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TP53KMT2ASMN1; SMN2HPGD | |
| SCHEMBL13091484 | 0.80 | SMN1; SMN2 (0.57) | ALDH1A1TP53SMN1; SMN2HPGDALOX5 | |
| SCHEMBL1559086 | 0.80 | HPGD (0.53) | ALDH1A1KMT2AHPGDPRKD3MEN1 |
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-2009153197-A1 | HALO-SUBSTITUTED PYRIMIDODIAZEPINES AS PLKL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-23 | — | — | WO | disclosed |