Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7775378 | 0.79 | ALDH1A1 (0.35) | ALDH1A1KDM4ECYP3A4TSHRHSD17B10 | |
| SCHEMBL5497754 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| SCHEMBL27545674 | 0.78 | PLD1 (0.64) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL893739 | 0.74 | ALDH1A1 (0.95) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL169214 | 0.74 | ALDH1A1 (0.95) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL101561 | 0.72 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL924147 | 0.72 | ALDH1A1 (1.00) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27324991 | 0.72 | ALDH1A1 (0.91) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL5375472 | 0.72 | ALDH1A1 (0.91) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR | |
| 2-Piperazin-1-Yl-Pyrimidine SCHEMBL27920766 | 0.72 | ALDH1A1 (0.91) | ALDH1A1KDM4ECYP2D6CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082308-A1 | HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-14 | — | — | EP | disclosed |
| EP-0991642-A1 | 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS | NEUROGEN CORPORATION (US) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999054305-A1 | HETEROCYCLICALLY SUBSTITUTED AMIDES USED AS CALPAIN INHIBITORS | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-28 | — | — | WO | disclosed |
| WO-1998056786-A1 | 2-AMINOALKYLAMINOQUINOLINES AS DOPAMINE D4 LIGANDS | NEUROGEN CORPORATION (US) | 1998-12-17 | — | — | WO | disclosed |