Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.55 |
| ▸ | BCHE | P06276 | 2/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.55 |
| ▸ | BACE1 | P56817 | 2/20 | 0.55 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | PPARA | Q07869 | 1/20 | 0.44 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1009131 | 0.91 | BCHE (0.60) | HTR2CEPHX1BCHEACHEBACE1 | |
| Trifluoroacetic Acid SCHEMBL5033621 | 0.88 | SMN1; SMN2 (0.57) | EPHX2ALDH1A1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5040926 | 0.85 | BCHE (0.47) | BCHEACHEBACE1SMN1; SMN2HRH3 | |
| Trifluoroacetic Acid SCHEMBL5037867 | 0.84 | POLB (0.52) | EPHX1BCHEACHEBACE1SMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL5011852 | 0.84 | FPR3 (0.47) | HTR2CBCHEACHEBACE1KDM1A | |
| Trifluoroacetic Acid SCHEMBL5014957 | 0.81 | SLC6A2 (0.43) | KDM1AEPHX2HRH3 | |
| SCHEMBL5561260 | 0.81 | BCHE (0.67) | HTR2CBCHEACHEBACE1KDM1A | |
| Trifluoroacetic Acid SCHEMBL5040989 | 0.80 | DRD4 (0.48) | HTR2CKDM1A | |
| SCHEMBL31532411 | 0.77 | HTR2C (0.55) | HTR2CEPHX1BCHEACHEBACE1 | |
| Trifluoroacetic Acid SCHEMBL942293 | 0.77 | EPHX1 (0.52) | HTR2CEPHX1EPHX2 |
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 |