Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | GPR39 | O43194 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13628825 | 0.89 | CYP1A2 (0.37) | SMN1; SMN2ALDH1A1TP53LMNACYP1A2 | |
| SCHEMBL13628822 | 0.82 | CYP1A2 (0.37) | SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL13628819 | 0.82 | CNR1 (0.43) | SMN1; SMN2RAB9AALDH1A1L3MBTL1MEN1 | |
| SCHEMBL13628838 | 0.80 | CYP1A2 (0.36) | MCL1SMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL13628864 | 0.80 | CYP1A2 (0.39) | SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4 | |
| SCHEMBL13628861 | 0.79 | RAB9A (0.38) | SMN1; SMN2NPC1RAB9AALDH1A1LMNA | |
| SCHEMBL2926006 | 0.78 | PTGS2 (0.41) | MCL1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL13628843 | 0.69 | AGTR1 (0.40) | TP53 | |
| SCHEMBL13628847 | 0.69 | CYP11B2 (0.43) | — | |
| SCHEMBL13628841 | 0.69 | TP53 (0.43) | SMN1; SMN2ALDH1A1HTTKMT2ATP53 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |