Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL7987419 | 0.83 | TSHR (0.42) | CYP3A4CYP2D6NFKB1ALDH1A1LMNA | |
| SCHEMBL6601468 | 0.80 | ALDH1A1 (0.39) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL8161295 | 0.78 | PNMT (0.57) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL21296457 | 0.78 | PNMT (0.47) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL9851070 | 0.78 | PNMT (0.47) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL10974822 | 0.76 | PNMT (0.50) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL1872442 | 0.75 | CYP1A2 (0.58) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL10982917 | 0.74 | PNMT (0.41) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL6049601 | 0.73 | PNMT (0.43) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 | |
| SCHEMBL8585903 | 0.73 | MEN1 (0.49) | PNMTCYP3A4CYP1A2CYP2D6NFKB1 |
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-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |