Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | APAF1 | O14727 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675735 | 0.79 | HSD17B10 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL19675259 | 0.76 | PARP3 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL19675283 | 0.73 | BRD4 (0.36) | PBRM1TNKS2KMT2AMEN1CYP1A2 | |
| SCHEMBL29016841 | 0.69 | PBRM1 (0.60) | ALDH1A1NPC1TSHRPBRM1TNKS2 | |
| SCHEMBL10438247 | 0.67 | NPC1 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL19675124 | 0.65 | S100A4 (0.40) | ALDH1A1SMN1; SMN2TSHRPBRM1TNKS2 | |
| SCHEMBL4802137 | 0.65 | HTR2A (0.39) | ALDH1A1SMN1; SMN2TSHRPBRM1TNKS2 | |
| SCHEMBL19675594 | 0.65 | CYP26A1 (0.39) | ALDH1A1CYP3A4PBRM1KMT2AMEN1 | |
| SCHEMBL1335484 | 0.65 | KDR (0.59) | PARP1 | |
| Phthalimide SCHEMBL27407474 | 0.65 | PDE10A (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2TP53 |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |