Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.42 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.40 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5037785 | 0.76 | SLC6A2 (0.46) | SOS1KDM4ECACNA1BHRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL17460197 | 0.76 | OPRD1 (0.56) | CACNA1BCACNA2D1CACNB1 | |
| SCHEMBL2087751 | 0.75 | SOS1 (0.51) | SOS1KDM4EHRH4GRIN2BLMNA | |
| Trifluoroacetic Acid SCHEMBL5040989 | 0.74 | DRD4 (0.48) | — | |
| Trifluoroacetic Acid SCHEMBL5040926 | 0.73 | BCHE (0.47) | HRH4HRH3TACR1 | |
| Trifluoroacetic Acid SCHEMBL5011852 | 0.72 | FPR3 (0.47) | HRH4HRH3 | |
| Trifluoroacetic Acid SCHEMBL5037867 | 0.72 | POLB (0.52) | HRH4HRH3CDK4CDK2CDK5 | |
| Trifluoroacetic Acid SCHEMBL5036144 | 0.72 | CARM1 (0.47) | — | |
| Trifluoroacetic Acid SCHEMBL4560397 | 0.72 | CXCR2 (0.44) | KDM4ECACNA1BHRH4HRH3LMNA | |
| SCHEMBL27717372 | 0.71 | SOS1 (0.47) | SOS1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622914-A4 | NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS | EPIX DELAWARE INC (US) | 2008-03-12 | — | — | EP | disclosed |
| EP-1622914-A2 | NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS | Predix Pharmaceuticals Holdings, Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2004089312-A2 | NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS | PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) | 2004-10-21 | — | — | WO | disclosed |