Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NMT1 | P30419 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31426534 | 0.85 | DGAT1 (0.34) | DGAT1KDM1AKDM1BPYCR1NPC1 | |
| SCHEMBL777155 | 0.78 | ALDH1A1 (0.39) | ALDH1A1ALOX12 | |
| SCHEMBL19409342 | 0.78 | ALOX15 (0.39) | PYCR1ALDH1A1LMNASMN1; SMN2HPGD | |
| SCHEMBL13461896 | 0.77 | NFE2L2 (0.35) | AKR1B1SMN1; SMN2TP53 | |
| SCHEMBL20149232 | 0.75 | ALDH1A1 (0.33) | ALDH1A1LMNA | |
| SCHEMBL11855535 | 0.75 | — | — | |
| SCHEMBL18921866 | 0.75 | CYP2A6 (0.33) | ALDH1A1 | |
| SCHEMBL31090434 | 0.75 | CYP2A6 (0.33) | ALDH1A1 | |
| SCHEMBL28779497 | 0.73 | CYP2A6 (0.38) | — | |
| SCHEMBL27348288 | 0.72 | ALDH1A1 (0.33) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012041158-A1 | TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-04-05 | — | — | WO | disclosed |