Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20236 | 0.92 | CYP3A4 (0.42) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| Benzene SCHEMBL8854030 | 0.91 | TSHR (0.40) | LTA4HTSHRALDH1A1CA1CA2 | |
| Benzene SCHEMBL9260420 | 0.91 | TSHR (0.40) | LTA4HTSHRALDH1A1CA1CA2 | |
| Hydrochloric Acid SCHEMBL29060497 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| SCHEMBL10424280 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| SCHEMBL7717490 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| SCHEMBL28699955 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| Butane SCHEMBL7118944 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 | |
| Hexane SCHEMBL11874448 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRADRB2ADRB1ADRB3 | |
| SCHEMBL30218355 | 0.90 | CYP3A4 (0.40) | CYP3A4TSHRTDP1L3MBTL1ADRB2 |
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-5620762-A | MIXTURE FREE OF HALIDE SALT AND CONTAINING A POLYAMIDE, ACRYLONITRILE-BUTADIENE COPOLYMER, A PLASTICIZER, A STABILIZER, A CROSSLINKING AGENT AND A FILLER; LAP RESISTANCE TO THE FIBER-WORKING SURFACE | ARMSTRONG WORLD INDUSTRIES, INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-4349526-A | TRI-SUBSTITUTED PHENYLUREAS AS SOLVENT IN ANTHRAQUINONE PROCESS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1982-09-14 | — | — | US | disclosed |