Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL29264392 | 0.75 | PARP1 (0.41) | ALDH1A1LMNA | |
| SCHEMBL3844598 | 0.73 | PKM (0.37) | DRD4 | |
| SCHEMBL1458915 | 0.72 | PKM (0.34) | DRD4 | |
| SCHEMBL1700325 | 0.64 | HPGD (0.62) | KDM4EHTTKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL29065579 | 0.63 | MAPK13 (0.40) | KDM4EKMT2AMEN1ALDH1A1MAPT | |
| SCHEMBL4573023 | 0.63 | CHRM2 (0.37) | MAPTCYP1A2POLBCYP2D6CYP2C9 | |
| Bromide SCHEMBL4573068 | 0.62 | CHRM2 (0.36) | MAPTCYP1A2POLBCYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL17271453 | 0.61 | TP53 (0.46) | HTTKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30563646 | 0.61 | PKM (0.46) | HTTKMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL19063848 | 0.61 | TP53 (0.43) | KDM4EHTTKMT2AMEN1SMN1; SMN2 |
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-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | disclosed |