Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | AKT1 | P31749 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675594 | 0.80 | CYP26A1 (0.39) | CYP19A1HSD17B10DDB1CRBNALDH1A1 | |
| SCHEMBL19675765 | 0.76 | ALDH1A1 (0.38) | HTR2AHTR2CHTR2BPARP1HSD17B10 | |
| SCHEMBL19675735 | 0.73 | HSD17B10 (0.37) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL19675124 | 0.71 | S100A4 (0.40) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL1443391 | 0.71 | TNKS2 (0.52) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL4802137 | 0.71 | HTR2A (0.39) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL1444438 | 0.69 | ALDH1A1 (0.57) | HTR2AHTR2CHTR2BPARP1HSD17B10 | |
| SCHEMBL29155427 | 0.69 | SMN1; SMN2 (0.58) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL30683790 | 0.69 | SMN1; SMN2 (0.58) | PARP3HTR2AHTR2CHTR2BPARP1 | |
| SCHEMBL29506922 | 0.69 | TNKS2 (0.57) | HTR2AHTR2CHTR2BPARP1CYP19A1 |
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-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |