Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 5/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19675453 | 0.80 | MAPT (0.50) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL8461563 | 0.76 | MAPT (0.35) | LMNASMN1; SMN2MAPTKDM4ENPSR1 | |
| SCHEMBL18493011 | 0.71 | MAPT (0.43) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL9626474 | 0.68 | MAPT (0.52) | NPC1RAB9ALMNATP53SMN1; SMN2 | |
| SCHEMBL12981369 | 0.68 | ALDH1A1 (0.44) | NPC1RAB9ALMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL22060814 | 0.67 | PTGS2 (0.44) | HDAC3HDAC8NPC1RAB9ALMNA | |
| SCHEMBL2017897 | 0.66 | CES2 (0.42) | NPC1ALDH1A1KMT2A | |
| SCHEMBL2012718 | 0.66 | CES2 (0.42) | LMNAALDH1A1MAPT | |
| SCHEMBL1965137 | 0.66 | TPMT (0.41) | — | |
| SCHEMBL693987 | 0.65 | SMN1; SMN2 (0.50) | RAB9ALMNASMN1; SMN2ALDH1A1MAPT |
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 |