Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | PGR | P06401 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 2/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1818909 | 0.88 | PKM (0.48) | NPC1MEN1KMT2AALDH1A1CYP2C9 | |
| SCHEMBL12818531 | 0.87 | PKM (0.45) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL12818426 | 0.87 | PGR (0.59) | MEN1KMT2AALDH1A1PGRCYP2C9 | |
| SCHEMBL1818674 | 0.85 | CYP2C9 (0.53) | NPC1MEN1KMT2AALDH1A1CYP11B1 | |
| SCHEMBL12818855 | 0.85 | PGR (0.36) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL1818351 | 0.85 | PIK3CA (0.39) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL12818542 | 0.85 | PGR (0.38) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL12819210 | 0.85 | PKM (0.38) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL12818056 | 0.84 | PGR (0.44) | NPC1MEN1KMT2AALDH1A1PGR | |
| SCHEMBL12818920 | 0.84 | MEN1 (0.40) | NPC1MEN1KMT2AALDH1A1CYP11B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | claimed |
| WO-2012130306-A1 | BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY | ELARA PHARMACEUTICALS GMBH (DE) | 2012-10-04 | — | — | WO | disclosed |