Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 4/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoromethanesulfonic Acid SCHEMBL3222183 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHR | |
| Trifluoromethanesulfonic Acid SCHEMBL2285727 | 0.83 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Trifluoromethanesulfonic Acid SCHEMBL27910342 | 0.80 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Ether SCHEMBL11160700 | 0.80 | TSHR (0.50) | ALDH1A1FAAHTSHRCA1CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL1851236 | 0.80 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Trifluoromethanesulfonic Acid SCHEMBL3361058 | 0.80 | EPHX1 (0.43) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Trifluoromethanesulfonic Acid SCHEMBL27669034 | 0.80 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Trifluoromethanesulfonic Acid SCHEMBL27876172 | 0.80 | EPHX1 (0.36) | ALDH1A1L3MBTL1EPHX1FAAHCES2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6192996 | 0.80 | CA1 (0.39) | ALDH1A1L3MBTL1EPHX1TSHRCA1 | |
| Ether SCHEMBL27570944 | 0.80 | CA5A (0.43) | ALDH1A1TSHRCA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115698002-A | Compositions and methods for parasite control | 菲利普莫里斯生产公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-110092712-B | Preparation method of bisphenol A | 三峡大学 | 2022-07-01 | — | — | CN | disclosed |
| US-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| US-6303593-B1 | FOR THERAPY HUMAN IMMUNODEFICIENCY VIRUS INFECTION, AQUIRED IMMUNODEFICIENCY SYNDROME (AIDS), INFLAMMATORY AND IMMUNOREGULATORY DISORDER OR DISEASE, ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-10-16 | — | — | US | disclosed |
| WO-2000051608-A1 | 3-THIENYL AND 3-FURANYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051610-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |