Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3153748 | 1.00 | AKR1C3 (0.49) | AKR1C3AKR1C2KDM4ECYP1A2CYP1A1 | |
| SCHEMBL29104508 | 0.98 | AKR1C3 (0.47) | AKR1C3AKR1C2KDM4ECYP1A2CYP1A1 | |
| SCHEMBL29892469 | 0.85 | ALDH1A1 (0.48) | AKR1C3AKR1C2KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL28281627 | 0.85 | ALDH1A1 (0.50) | AKR1C3AKR1C2KDM4ECYP1A2CYP1A1 | |
| SCHEMBL22978397 | 0.85 | NPC1 (0.43) | AKR1C3AKR1C2KDM4ECYP1A2CYP1A1 | |
| SCHEMBL29350007 | 0.84 | ALDH1A1 (0.59) | KDM4ECYP1A2CYP1B1ALDH1A1CYP2A6 | |
| SCHEMBL27953 | 0.84 | ALDH1A1 (0.59) | KDM4ECYP1A2CYP1B1ALDH1A1CYP2A6 | |
| SCHEMBL25302086 | 0.84 | ALDH1A1 (0.59) | KDM4ECYP1A2CYP1B1ALDH1A1CYP2A6 | |
| SCHEMBL31019446 | 0.84 | AKR1C3 (0.47) | AKR1C3AKR1C2KDM4ECYP1A2ALDH1A1 | |
| SCHEMBL28232750 | 0.84 | DHFR (0.44) | AKR1C3AKR1C2KDM4ECYP1A2CYP1A1 |
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-115380099-A | Organic light emitting compound and organic light emitting device including the same | 株式会社P&H TECH | 2022-11-22 | — | — | CN | disclosed |