Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | PDGFRB | P09619 | 9/20 | 0.51 |
| ▸ | KDR | P35968 | 7/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TMPRSS2 | O15393 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3532340 | 0.81 | KDM4E (0.50) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3530553 | 0.81 | HSP90AB1 (0.49) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3531360 | 0.81 | HSP90AB1 (0.47) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3529815 | 0.80 | CYP1A2 (0.48) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3529931 | 0.79 | KDR (0.51) | HSP90AB1PDGFRBKDRNPC1 | |
| SCHEMBL3530719 | 0.79 | PDGFRB (0.49) | HSP90AB1PDGFRBKDRMAPTTMPRSS2 | |
| SCHEMBL3533089 | 0.79 | PDGFRB (0.62) | HSP90AB1PDGFRBKDRHPGDLMNA | |
| SCHEMBL3533556 | 0.79 | ENPP2 (0.51) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3531464 | 0.79 | PDGFRB (0.61) | HSP90AB1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3532953 | 0.78 | KDR (0.48) | HSP90AB1PDGFRBKDRHPGDLMNA |
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-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | claimed |
| EP-1742925-B1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| EP-1742925-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005105759-A1 | SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS | Grünenthal GmbH (DE) | 2005-11-10 | — | — | WO | disclosed |