Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.40 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.39 |
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4802137 | 0.76 | HTR2A (0.39) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL19675259 | 0.71 | PARP3 (0.39) | S100A4ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL10517286 | 0.67 | HSD17B10 (0.51) | HSD17B10TSHRPARP3CYP1A2GAA | |
| SCHEMBL5009457 | 0.66 | HTR2C (0.42) | HTR2AHTR2CHTR2BHPGDSMN1; SMN2 | |
| SCHEMBL9669359 | 0.65 | LRRK2 (0.52) | TNKS2ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL31444453 | 0.65 | ALDH1A1 (0.60) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL1443391 | 0.64 | TNKS2 (0.52) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL1444438 | 0.63 | ALDH1A1 (0.57) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL24038969 | 0.63 | HTR2A (0.67) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C | |
| SCHEMBL19696047 | 0.63 | HTR2A (0.67) | TNKS2ALDH1A1HSD17B10HTR2AHTR2C |
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 |