Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.59 |
| ▸ | NOTUM | Q6P988 | 12/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | PHGDH | O43175 | 1/20 | 0.50 |
| ▸ | DPP4 | P27487 | 2/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL20080888 | 0.92 | NOTUM (0.58) | NOTUMMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8320134 | 0.84 | NOTUM (0.52) | NOTUMMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2922525 | 0.84 | DPP4 (0.52) | NOTUMMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2921346 | 0.83 | DPP4 (0.51) | NOTUMMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21448004 | 0.82 | SIRT6 (0.61) | SIRT6MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9645889 | 0.82 | MAPT (0.50) | NOTUMMEN1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3243736 | 0.81 | NOTUM (0.53) | SIRT6NOTUMMEN1CYP1A2CYP3A4 | |
| SCHEMBL30340643 | 0.81 | GAA (0.61) | SIRT6MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL255333 | 0.81 | ADRB1 (0.65) | NOTUMCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13068417 | 0.81 | GAA (0.61) | SIRT6MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| EP-2508526-A1 | Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators | Ares Trading SA (CH) | 2012-10-10 | — | — | EP | disclosed |
| WO-2012130915-A1 | SPIROALKENE CARBOXAMIDE DERIVATIVES AND THEIR USE AS CHEMOKINE RECEPTOR MODULATORS | ARES TRADING S.A. (CH) | 2012-10-04 | — | — | WO | disclosed |
| US-5945421-A | TREATING PSYCHOSIS AND SCHIZOPHRENIA | WARNER-LAMBERT COMPANY (US) | 1999-08-31 | — | — | US | disclosed |