Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | FAAH | O00519 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL6272474 | 0.98 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Ethyl Acetate SCHEMBL27912255 | 0.93 | ALDH1A1 (0.61) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Ethyl Acetate SCHEMBL6272471 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Ethyl Acetate SCHEMBL10707135 | 0.91 | ALDH1A1 (0.58) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Hexane SCHEMBL260348 | 0.88 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL6948245 | 0.88 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL6948482 | 0.88 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Ethyl Acetate SCHEMBL6986234 | 0.88 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Ethyl Acetate SCHEMBL28478462 | 0.88 | ALDH1A1 (0.67) | ALDH1A1LMNAHSD17B10TSHRFAAH | |
| Hexane SCHEMBL3003669 | 0.86 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRFAAH |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261312-A1 | Methods for matrix cleanup and analysis of drugs and metabolites in biological matrices | YANG YUHUI | 2008-10-23 | — | — | US | disclosed |
| US-20080050838-A1 | Methods for matrix cleanup and analysis of drugs and metabolites in biological matrices | Yang, Yuhui (US) | 2008-02-28 | — | — | US | disclosed |
| EP-0927035-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-1027609-A2 | METHOD FOR DETERMINATION OF DRUGS OF ABUSE IN BIOLOGICAL SAMPLES | Varian, Inc. (US) | 2000-08-16 | — | — | EP | disclosed |
| US-6057161-A | SIMPLE, RAPID SOLID PHASE EXTRACTION OF BENZOYLECGONINE OR COCAINE FROM AQUEOUS BODY FLUID WITH DIVINYLBENZENE-STYRENE RESIN, WASHING WITH BUFFER, ELUTING WITH ACETONE/CHLOROFORM OR ACETONITRILE/N-BUTYLCHLORIDE, GAS CHROMATOGRAPHIC ANALYSIS | VARIAN, INC. (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0927035-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-07-07 | — | — | EP | disclosed |
| WO-1999022244-A2 | METHOD FOR DETERMINATION OF DRUGS OF ABUSE IN BIOLOGICAL SAMPLES | VARIAN, INC. (US) | 1999-05-06 | — | — | WO | disclosed |
| US-5872138-A | INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1998010763-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-03-19 | — | — | WO | disclosed |
| US-5276025-A | Heterobicyclic sulfonamides | MERCK & CO., INC. (US) | 1994-01-04 | — | — | US | disclosed |
| US-4847289-A | Thiophene sulfonamide antiglaucoma agents | MERCK & CO., INC. (US) | 1989-07-11 | — | — | US | disclosed |
| EP-0295049-A2 | Thiophene sulfonamide antiglaucoma agents | MERCK & CO. INC. (US) | 1988-12-14 | — | — | EP | disclosed |
| EP-0083975-B1 | HERBICIDAL SULFONAMIDES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-11-19 | — | — | EP | disclosed |
| US-4629496-A | Herbicidal O-alkylsulfonyloxy- and O-alkylsulfonylaminobenzenesulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-12-16 | — | — | US | disclosed |
| US-4602940-A | HERBICIDES, PLANT GROWTH REGULATOR | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1986-07-29 | — | — | US | disclosed |
| US-4534789-A | PREEMERGENCE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-08-13 | — | — | US | disclosed |
| US-4534790-A | Herbicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1985-08-13 | — | — | US | disclosed |
| US-4465505-A | Herbicidal sulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-08-14 | — | — | US | disclosed |
| US-4435205-A | Herbicidal o-alkylsulfonyloxy- and o-alkylsulfonylaminobenzenesulfonamides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-03-06 | — | — | US | disclosed |
| EP-0083975-A2 | Herbicidal sulfonamides | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1983-07-20 | — | — | EP | disclosed |