Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 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 | |
|---|---|---|---|---|
| SCHEMBL7563025 | 0.79 | IDO1 (0.46) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL11603843 | 0.79 | IDO1 (0.46) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL597442 | 0.79 | IDO1 (0.46) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL23232284 | 0.78 | IDO1 (0.41) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL27544894 | 0.77 | ESR1 (0.52) | KDM4EALDH1A1LMNASMN1; SMN2CA1 | |
| SCHEMBL4048358 | 0.75 | IDO1 (0.48) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL502663 | 0.74 | IDO1 (0.42) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL1962791 | 0.74 | AOC3 (0.47) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL20938211 | 0.74 | IDO1 (0.48) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL13479485 | 0.74 | IDO1 (0.48) | IDO1TDO2AOC3HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0819000-B1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |
| EP-0819000-A4 | NODULISPORIC ACID DERIVATIVES | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-5962499-A | ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0819000-A1 | NODULISPORIC ACID DERIVATIVES | Merck & Co., Inc. (US) | 1998-01-21 | — | — | EP | disclosed |
| WO-1996029073-A1 | NODULISPORIC ACID DERIVATIVES | MERCK & CO., INC. (US) | 1996-09-26 | — | — | WO | disclosed |
| US-4275250-A | CHEMICAL INTERMEDIATES FOR VINYLCYCLOPROPANE CARBOXYLIC ACID ESTERS OF HALOGENATED BENZYL ALCOHOL WHICH ARE ARTHROPODICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1981-06-23 | — | — | US | disclosed |
| US-4183950-A | Combating arthropods with 2,2-dimethyl-3-vinyl-cyclopropane carboxylic acid esters of halogenated benzyl alcohols | BAYER AKTIENGESELLSCHAFT (DE) | 1980-01-15 | — | — | US | disclosed |