Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.36 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.35 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16837432 | 0.95 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP1B1TTRERAP1 | |
| SCHEMBL16837439 | 0.78 | DPP4 (0.47) | KDM4EDPP4 | |
| SCHEMBL28275528 | 0.78 | KDM4E (0.44) | CYP1A1CYP1A2CYP1B1ERAP1KDM4E | |
| SCHEMBL16837433 | 0.73 | FABP3 (0.44) | CYP1A2KDM4EDPP4ALDH1A1 | |
| SCHEMBL28923937 | 0.71 | TAAR1 (0.41) | CYP1A2KDM4EMAPTMAPK8ACHE | |
| SCHEMBL19047257 | 0.70 | KIF11 (0.49) | CYP1A2MAPTMAPK8ACHENPC1 | |
| SCHEMBL13792628 | 0.69 | KMT2A (0.47) | CYP1A1CYP1A2CYP1B1ERAP1KCNA3 | |
| SCHEMBL16675059 | 0.68 | HTR7 (0.39) | KDM4EMAPTALDH1A1KMT2A | |
| SCHEMBL24914174 | 0.67 | TSHR (0.36) | CYP1A1CYP1A2CYP1B1ERAP1ACHE | |
| SCHEMBL5495094 | 0.67 | L3MBTL1 (0.37) | ACHEKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9065060-B2 | Compound and organic light-emitting device comprising same | LG CHEM, LTD. (KR) | 2015-06-23 | — | — | US | disclosed |