Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | TACR2 | P21452 | 2/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SHBG | P04278 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TST | Q16762 | 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 | |
|---|---|---|---|---|
| Phenol SCHEMBL4082104 | 0.91 | CA12 (0.44) | ESR1NAAA | |
| Benzyl Alcohol SCHEMBL11378323 | 0.84 | TSHR (0.44) | ALDH1A1NAAACETP | |
| Benzoic Acid SCHEMBL11126786 | 0.84 | CES2 (0.47) | ALDH1A1TP53NAAAMAPTNAPRT | |
| SCHEMBL9132725 | 0.82 | NAAA (0.39) | CYP3A4LMNANAAACES2CES1 | |
| SCHEMBL11231904 | 0.82 | NAAA (0.39) | CYP3A4LMNANAAACES2CES1 | |
| SCHEMBL10687867 | 0.82 | NAAA (0.58) | ALDH1A1CYP3A4ESR1ADRA2AADORA3 | |
| Toluene SCHEMBL28100339 | 0.81 | LMNA (0.38) | LMNAACHENAAACES2CES1 | |
| Phenol SCHEMBL9443168 | 0.81 | KEAP1 (0.53) | ALDH1A1NAAA | |
| SCHEMBL37419 | 0.80 | NAAA (0.58) | ALDH1A1ESR1LMNAHSD17B10NAAA | |
| SCHEMBL15486455 | 0.80 | NAAA (0.58) | ALDH1A1ESR1LMNAHSD17B10NAAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5952359-A | NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-14 | — | — | US | disclosed |
| US-5912243-A | NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS | ZENECA LIMITED (GB) | 1999-06-15 | — | — | US | disclosed |
| US-5705516-A | NEMATOCIDES, INSECTICIDES, ACARICIDES | ZENECA LIMITED (GB) | 1998-01-06 | — | — | US | disclosed |
| US-5324741-A | Heterocyclic isoxazole compounds having nematicidal activity | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1994-06-28 | — | — | US | disclosed |