Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.78 |
| ▸ | RAB9A | P51151 | 6/20 | 0.78 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.78 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.78 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.78 |
| ▸ | RELA | Q04206 | 4/20 | 0.78 |
| ▸ | TP53 | P04637 | 4/20 | 0.78 |
| ▸ | PKM | P14618 | 3/20 | 0.78 |
| ▸ | MAPT | P10636 | 5/20 | 0.71 |
| ▸ | MAOB | P27338 | 1/20 | 0.71 |
| ▸ | POLB | P06746 | 2/20 | 0.62 |
| ▸ | HTR2C | P28335 | 1/20 | 0.62 |
| ▸ | NAMPT | P43490 | 1/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.59 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL382910 | 0.88 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28367564 | 0.86 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL12692434 | 0.86 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL15879125 | 0.86 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL6350744 | 0.84 | NPC1 (0.81) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL12692444 | 0.83 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28367238 | 0.83 | NPC1 (0.79) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL6798342 | 0.83 | NPC1 (0.78) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL12692514 | 0.82 | NPC1 (0.74) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28367602 | 0.82 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 |
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 |