Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.47 |
| ▸ | NOS3 | P29474 | 2/20 | 0.47 |
| ▸ | NOS1 | P29475 | 2/20 | 0.47 |
| ▸ | NOS2 | P35228 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8404533 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL4021192 | 0.80 | PDPK1 (0.57) | PDPK1CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL30175614 | 0.80 | PDPK1 (0.57) | PDPK1CYP1A2ALDH1A1HPGDHSD17B10 | |
| SCHEMBL559707 | 0.77 | PDPK1 (0.53) | PDPK1FGFR1EGFRMAP4K4MAPT | |
| SCHEMBL559239 | 0.77 | PDPK1 (0.53) | PDPK1CYP1A2NOS1FGFR1EGFR | |
| SCHEMBL18379303 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL558996 | 0.77 | PDPK1 (0.53) | PDPK1CYP1A2CYP2A6FGFR1MAP4K4 | |
| SCHEMBL559279 | 0.77 | NOS3 (0.47) | PDPK1CYP1A2CYP2A6NOS3NOS1 | |
| SCHEMBL19044152 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2A6ALDH1A1HPGDHSD17B10 | |
| SCHEMBL30871777 | 0.77 | PDPK1 (0.53) | PDPK1CYP1A2NOS1FGFR1EGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3896064-A1 | 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS | Gilead Sciences, Inc. (US) | 2021-10-20 | — | — | EP | disclosed |