Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10908018 | 0.81 | CA2 (0.49) | NPSR1ALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL31076402 | 0.80 | MEN1 (0.36) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL7044076 | 0.79 | ALDH1A1 (0.44) | NPSR1ALDH1A1CYP3A4KDM4ECCR2 | |
| SCHEMBL8964683 | 0.77 | ALDH1A1 (0.47) | NPSR1ALDH1A1CYP3A4KDM4EMAPT | |
| SCHEMBL27667874 | 0.76 | MCL1 (0.40) | NPSR1ALDH1A1KDM4ECCR2MAPT | |
| SCHEMBL10907860 | 0.76 | ESR1 (0.59) | NPSR1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL27258973 | 0.74 | PKM (0.36) | ALDH1A1CYP3A4KDM4EMAPTGAA | |
| SCHEMBL92958 | 0.74 | S1PR1 (0.51) | NPSR1ALDH1A1CYP3A4KDM4ECCR2 | |
| SCHEMBL11052769 | 0.74 | SLC6A2 (0.43) | HTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL20974475 | 0.74 | HTT (0.37) | NPSR1ALDH1A1CYP3A4HPGDHTT |
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-1569919-B1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-7642277-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-05 | — | — | US | disclosed |