Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | GLS | O94925 | 2/20 | 0.36 |
| ▸ | RHEB | Q15382 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7634441 | 0.84 | FAAH (0.54) | FAAHCYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8058845 | 0.80 | HPGDS (0.37) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8520737 | 0.79 | ACP3 (0.53) | SRCCYP1A2MCL1MAPTNPC1 | |
| SCHEMBL7606891 | 0.77 | PARP1 (0.42) | PARP1DAOMCL1GLSHDAC1 | |
| SCHEMBL7609680 | 0.74 | FAAH (0.49) | FAAHCYP3A4MEN1KMT2AALDH1A1 | |
| SCHEMBL8048486 | 0.73 | ACP3 (0.49) | SRCCYP1A2MCL1MAPT | |
| SCHEMBL7639813 | 0.72 | ACP3 (0.48) | SRCCYP1A2MCL1MAPT | |
| SCHEMBL27644456 | 0.71 | PARP1 (0.68) | SRCCYP2C19PARP1DAOGLS | |
| SCHEMBL3245338 | 0.71 | SRC (0.61) | SRCCYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6536568 | 0.70 | AHR (0.47) | CYP1A2CYP3A4CYP2D6PARP1DAO |
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-0949922-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998013044-A1 | PHARMACEUTICAL COMPOSITIONS AND METHODS OF TREATING COMPULSIVE DISORDERS USING NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1998-04-02 | — | — | WO | disclosed |