Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL35 | 0.81 | CYP2A6 (0.39) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL597746 | 0.81 | CYP2A6 (0.39) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL6537252 | 0.80 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TSHRHPGDCYP1A2 | |
| SCHEMBL28169926 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL20526418 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL27869135 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL29094877 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL20873650 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL6409528 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| Fluoride SCHEMBL28100351 | 0.79 | CYP2A6 (0.37) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | claimed |
| US-6774078-B1 | COMPLEX INCORPORATES A GROUP 3-10 TRANSITION METAL AND AN ANNULATED CYCLOPENTADIENYL LIGAND THAT IS PI-BONDED TO THE METAL | EQUISTAR CHEMICALS, LP | 2004-08-10 | — | — | US | disclosed |