Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.33 |
| ▸ | FEN1 | P39748 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MC5R | P33032 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546596 | 0.83 | HDAC1 (0.40) | HDAC1ROCK2PTK2 | |
| SCHEMBL7495243 | 0.74 | RORC (0.37) | HDAC1 | |
| SCHEMBL6846512 | 0.72 | PTPN11 (0.40) | PTK2CYP2C19SMN1; SMN2NPSR1MEN1 | |
| SCHEMBL7228820 | 0.71 | WNT3A (0.43) | CYP2C19SMN1; SMN2MAPTNPSR1MEN1 | |
| SCHEMBL27909454 | 0.70 | PARP1 (0.42) | HDAC1ALOX5APFEN1 | |
| SCHEMBL30385469 | 0.70 | PARP1 (0.42) | HDAC1ALOX5APFEN1 | |
| SCHEMBL6846514 | 0.69 | TSHR (0.42) | HDAC1CYP1A2CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL6846420 | 0.68 | RAB9A (0.37) | PTK2NPC1RAB9ASMN1; SMN2NPSR1 | |
| Hydrochloric Acid SCHEMBL6844782 | 0.67 | PTK2 (0.49) | PTK2CYP2C9MAPTMEN1KMT2A | |
| SCHEMBL31105123 | 0.65 | PARP1 (0.40) | ALOX5APFEN1MAPTNPSR1MEN1 |
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-1252146-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2002-10-30 | — | — | EP | disclosed |
| WO-2001053274-A1 | AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES | AGOURON PHARMACEUTICALS, INC. (US) | 2001-07-26 | — | — | WO | disclosed |