Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7276258 | 0.85 | CTSK (0.56) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7352077 | 0.78 | TRPM8 (0.57) | ALDH1A1TRPM8CTSKCTSLCTSB | |
| SCHEMBL9293312 | 0.74 | CTSK (0.48) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7345336 | 0.73 | ATM (0.59) | ALDH1A1TRPM8CTSKCTSLCTSB | |
| SCHEMBL22213839 | 0.72 | TRPM8 (0.55) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8022777 | 0.72 | LTA4H (0.54) | TRPM8SMN1; SMN2ATM | |
| SCHEMBL7789686 | 0.71 | CYP3A4 (0.47) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24103515 | 0.70 | TRPM8 (0.56) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30764688 | 0.70 | CTSK (0.59) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24103310 | 0.70 | TRPM8 (0.56) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 |
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-0210545-A2 | Phosphorous containing enzyme inhibitors | MERCK & CO. INC. (US) | 1987-02-04 | — | — | EP | disclosed |
| EP-0209897-A2 | Peptide enzyme inhibitors | MERCK & CO. INC. (US) | 1987-01-28 | — | — | EP | disclosed |