Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA3 | P07451 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA6 | P23280 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16289785 | 0.81 | ALDH1A1 (0.36) | CYP1A2CYP1B1CYP1A1CYP2A6ALDH1A1 | |
| SCHEMBL21858086 | 0.79 | APP (0.44) | CYP1A2CYP1B1CYP1A1CYP2A6ALDH1A1 | |
| SCHEMBL21858026 | 0.78 | CHAT (0.45) | CYP1A2CYP2A6ALDH1A1TSHRHSD17B10 | |
| SCHEMBL10476636 | 0.76 | CYP2A6 (0.39) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR | |
| SCHEMBL647106 | 0.76 | CA1 (0.41) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR | |
| SCHEMBL7408803 | 0.76 | ALDH1A1 (0.39) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR | |
| SCHEMBL5051704 | 0.76 | ALDH1A1 (0.39) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR | |
| SCHEMBL21858095 | 0.74 | CYP1B1 (0.46) | CYP1A2CYP1B1CYP1A1CYP2A6ALDH1A1 | |
| SCHEMBL219753 | 0.69 | CYP2A6 (0.46) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR | |
| SCHEMBL114219 | 0.68 | ALDH1A1 (0.48) | CYP1A2CYP1B1CYP2A6ALDH1A1TSHR |
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-113631536-A | Fluorene derivative and use thereof | 日产化学株式会社 | 2021-11-09 | — | — | CN | disclosed |