Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | ATP4A | P20648 | 1/20 | 0.49 |
| ▸ | ATP4B | P51164 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1744879 | 0.79 | POLB (0.61) | ADORA1POLBATP4AATP4BALOX5 | |
| SCHEMBL27834222 | 0.77 | POLB (0.58) | ADORA1POLBATP4AATP4BALOX5 | |
| SCHEMBL10076399 | 0.76 | ADORA1 (0.64) | ADORA1POLBATP4AATP4BALOX5 | |
| SCHEMBL7081609 | 0.75 | DRD2 (0.46) | ADORA1POLBATP4AATP4BKMT2A | |
| Hydrochloric Acid SCHEMBL6957118 | 0.74 | DRD2 (0.45) | ADORA1POLBATP4AATP4BKMT2A | |
| SCHEMBL6952045 | 0.73 | DRD3 (0.53) | ADORA1 | |
| SCHEMBL30953833 | 0.73 | ADORA1 (0.97) | ADORA1POLBATP4AATP4BKMT2A | |
| SCHEMBL1745165 | 0.73 | ADORA1 (0.97) | ADORA1POLBATP4AATP4BKMT2A | |
| SCHEMBL10052160 | 0.73 | ADORA1 (0.59) | ADORA1POLBATP4AATP4BALOX5 | |
| SCHEMBL6952207 | 0.72 | HTR1A (0.49) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019014300-A1 | PHENYLACETAMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |