Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.66 |
| ▸ | MEN1 | O00255 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | P2RX7 | Q99572 | 6/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12844535 | 0.92 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL12770960 | 0.84 | MEN1 (0.68) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23402151 | 0.84 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL23401505 | 0.84 | NPC1 (0.51) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL20083710 | 0.83 | NPC1 (0.66) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL27920257 | 0.82 | SMO (0.51) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL6206806 | 0.81 | RAB9A (0.46) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL14733931 | 0.81 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2ATSHR | |
| Hydrazine SCHEMBL28494103 | 0.80 | ALDH1A1 (0.46) | NPC1RAB9AMEN1KMT2ATSHR | |
| SCHEMBL6094963 | 0.80 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2ATSHR |
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-3252050-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |
| EP-3252049-A1 | PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-12-06 | — | — | EP | disclosed |