Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15731012 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL20243314 | 0.91 | ALDH1A1 (0.48) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL14069630 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL16271372 | 0.87 | ALDH1A1 (0.44) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL16271403 | 0.85 | ALDH1A1 (0.42) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL27993390 | 0.85 | ALDH1A1 (0.54) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL16271321 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| SCHEMBL75571 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR | |
| Naphthalene SCHEMBL14922236 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4TSHRHPGD | |
| SCHEMBL16271380 | 0.82 | CYP1A2 (0.43) | ALDH1A1CYP1A2HSD17B10CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-106008608-A | Asymmetric dual-core cyclometalated platinum (II) complex with D-A-A configuration pi conjugated system and application thereof | 湘潭大学 | 2016-10-12 | — | — | CN | disclosed |