Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ITGAV | P06756 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ALPG | P10696 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12481561 | 0.83 | CYP2C19 (0.58) | SCN9AKMT2AKAT6APGRCYP2C19 | |
| SCHEMBL4292596 | 0.82 | SCN9A (0.49) | SCN9AKMT2AKAT6AALDH1A1LMNA | |
| SCHEMBL12953965 | 0.80 | KMT2A (0.51) | KMT2AKAT6APGRALDH1A1LMNA | |
| SCHEMBL21051622 | 0.79 | USP2 (0.68) | KMT2AUSP2ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL18498633 | 0.79 | ATM (0.72) | KMT2AKAT6AUSP2CYP2C19ALDH1A1 | |
| SCHEMBL5332920 | 0.78 | PGR (0.46) | SCN9AKMT2AKAT6APGRALDH1A1 | |
| SCHEMBL5785004 | 0.78 | KDM4E (0.52) | SCN9AKAT6APGRITGAVACLY | |
| SCHEMBL4615617 | 0.77 | PGR (0.50) | KMT2AKAT6APGRALDH1A1SMN1; SMN2 | |
| SCHEMBL13894238 | 0.77 | TSHR (0.51) | KMT2AKAT6APGRALDH1A1ACLY | |
| SCHEMBL1246560 | 0.77 | KMT2A (0.51) | KMT2AUSP2CYP2C19ALDH1A1ATM |
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-2286221-A2 | METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE | Cayman Chemical Company (US) | 2011-02-23 | — | — | EP | disclosed |
| WO-2009140364-A2 | METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE | CAYMAN CHEMICAL COMPANY (US) | 2009-11-19 | — | — | WO | disclosed |