Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ALPL | P05186 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL147800 | 0.89 | POLB (0.40) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL7816225 | 0.83 | NISCH (0.37) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL668821 | 0.82 | POLB (0.38) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL722195 | 0.80 | HPRT1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL2586301 | 0.80 | HPRT1 (0.52) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL2452946 | 0.79 | MCL1 (0.46) | ALDH1A1HSD17B10TSHRTDP1HPGD | |
| SCHEMBL6655477 | 0.77 | MAOA (0.42) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL6987826 | 0.77 | KDM4E (0.37) | ALDH1A1HSD17B10CYP2A6TSHRCYP1A2 | |
| SCHEMBL7722881 | 0.77 | ESR1 (0.43) | ALDH1A1CYP1A2HPGDCYP3A4KDM4E | |
| SCHEMBL1819078 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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 |