Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637885 | 1.00 | KDM1A (0.42) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17774227 | 0.88 | ALDH1A1 (0.47) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15604897 | 0.88 | CYP2C19 (0.42) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18545037 | 0.81 | KDM1A (0.38) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18790295 | 0.81 | KDM1A (0.42) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20233958 | 0.78 | KDM1A (0.44) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL20226278 | 0.78 | KDM1A (0.39) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL11812669 | 0.77 | CYP2C19 (0.45) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL15604879 | 0.77 | — | — | |
| SCHEMBL18125709 | 0.77 | CYP2C19 (0.45) | KDM1AMAOBALDH1A1CYP1A2CYP3A4 |
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-2017105041-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-22 | — | — | WO | disclosed |