Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 4/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TLR4 | O00206 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL4140379 | 0.90 | NR5A1 (0.48) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10689425 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10693533 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10690464 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10692048 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10858978 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10690008 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10694683 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10689444 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR | |
| SCHEMBL10637949 | 0.88 | NR5A1 (0.52) | LTA4HNR5A1THRATHRBTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4734522-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1988-03-29 | — | — | US | disclosed |
| US-4578210-A | Carbocyclic six-membered ring compounds | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1986-03-25 | — | — | US | disclosed |
| EP-0134576-A2 | Carbocyclic six-membered ring compounds | MERCK PATENT GmbH (DE) | 1985-03-20 | — | — | EP | disclosed |