Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13803643 | 0.83 | ALDH1A1 (0.58) | NPC1CASP1CASP7TSHRALDH1A1 | |
| SCHEMBL20116495 | 0.82 | CA12 (0.66) | NPC1CASP1CASP7TSHRALDH1A1 | |
| SCHEMBL892508 | 0.82 | CA12 (0.66) | NPC1CASP1CASP7TSHRALDH1A1 | |
| SCHEMBL12668076 | 0.81 | HPGD (0.70) | NPC1TSHRUSP2TP53ALDH1A1 | |
| SCHEMBL10202314 | 0.81 | TSHR (0.71) | NPC1TSHRUSP2ALDH1A1L3MBTL1 | |
| SCHEMBL16131376 | 0.80 | RAB9A (0.60) | NPC1TSHRALDH1A1L3MBTL1MEN1 | |
| SCHEMBL20116623 | 0.80 | ALDH1A1 (0.58) | NPC1TSHRALDH1A1L3MBTL1MEN1 | |
| SCHEMBL14817520 | 0.79 | TSHR (0.76) | TSHRALDH1A1L3MBTL1MEN1KMT2A | |
| SCHEMBL17321490 | 0.79 | ALDH1A1 (0.54) | NPC1CASP1CASP7TSHRUSP2 | |
| SCHEMBL892079 | 0.79 | ALDH1A1 (0.67) | NPC1TSHRUSP2TP53ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9926282-B2 | Phthalazinones and isoquinolinones as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-27 | — | — | US | disclosed |
| EP-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |