Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.44 |
| ▸ | HNF4A | P41235 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | DCLRE1A | Q6PJP8 | 1/20 | 0.40 |
| ▸ | DCLRE1B | Q9H816 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | UCHL5 | Q9Y5K5 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27624326 | 0.86 | ACMSD (0.47) | ACMSDHNF4APTPN1DHFRMCL1 | |
| SCHEMBL14901086 | 0.86 | ALDH1A1 (0.46) | ACMSDHNF4APTPN1DHFRMCL1 | |
| SCHEMBL27355083 | 0.82 | ADORA2A (0.42) | PTPN1ATMALDH1A1POLBKDM4E | |
| Water SCHEMBL27300806 | 0.81 | ADORA2A (0.41) | PTPN1ALDH1A1POLBKDM4EHPGD | |
| SCHEMBL15008652 | 0.77 | RXFP1 (0.42) | PTPN1MCL1ALDH1A1POLBKDM4E | |
| SCHEMBL9256829 | 0.77 | TP53 (0.50) | MCL1ALDH1A1POLBKDM4EHPGD | |
| SCHEMBL26119158 | 0.77 | BCL2L1 (0.47) | ACMSDKEAP1DHFRALDH1A1CYP1A2 | |
| SCHEMBL29375373 | 0.74 | POLB (0.46) | KEAP1PTPN1ALDH1A1ALOX15POLB | |
| SCHEMBL27605296 | 0.74 | ACMSD (0.53) | ACMSDHNF4APTPN1DHFRMCL1 | |
| SCHEMBL21555682 | 0.73 | KMT2A (0.44) | ALDH1A1ALOX15CYP1A2POLBKDM4E |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108976186-A | A method of the four substituted furan class compound of preparation based on carbon-hydrogen link activation | 中国科学院大连化学物理研究所 | 2018-12-11 | — | — | CN | 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 |
| EP-0784620-B1 | N-SUBSTITUTED PIPERIDINYL BICYCLIC BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 1999-12-08 | — | — | EP | disclosed |
| EP-0784619-B1 | PHENYL-OXO-ALKYL-(4-PIPERIDINYL)BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 1999-03-24 | — | — | EP | disclosed |
| US-5872131-A | Phenyl-oxo-alkyl-(4-piperidinyl)benzoate derivatives | JANSSEN PHARMACEUTICA, N.V. (BE) | 1999-02-16 | — | — | US | disclosed |
| EP-0784619-A1 | PHENYL-OXO-ALKYL-(4-PIPERIDINYL)BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-23 | — | — | EP | disclosed |
| EP-0784620-A1 | N-SUBSTITUTED PIPERIDINYL BICYCLIC BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1997-07-23 | — | — | EP | disclosed |
| WO-1996010026-A1 | PHENYL-OXO-ALKYL-(4-PIPERIDINYL)BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-04-04 | — | — | WO | disclosed |
| WO-1996010027-A1 | N-SUBSTITUTED PIPERIDINYL BICYCLIC BENZOATE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1996-04-04 | — | — | WO | disclosed |