Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10722276 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDMAPTLMNAMAPK1 | |
| SCHEMBL8440818 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL483553 | 0.73 | CYP19A1 (0.46) | ALDH1A1SMN1; SMN2MAPTHTTCYP19A1 | |
| SCHEMBL106062 | 0.73 | TSHR (0.50) | ALDH1A1SMN1; SMN2MAPTHTTCYP19A1 | |
| SCHEMBL2154210 | 0.72 | SMN1; SMN2 (0.49) | ALDH1A1HPGDSMN1; SMN2MAPTNPSR1 | |
| SCHEMBL2153612 | 0.72 | CYP19A1 (0.48) | ALDH1A1HPGDSMN1; SMN2MAPTNPSR1 | |
| Nitric Acid SCHEMBL27674412 | 0.71 | TSHR (0.43) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL11229770 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| Ethane SCHEMBL2154770 | 0.71 | TSHR (0.48) | ALDH1A1SMN1; SMN2MAPTHTTCYP19A1 | |
| SCHEMBL19356915 | 0.70 | CYP19A1 (0.47) | ALDH1A1HPGDSMN1; SMN2MAPTNPSR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906285-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AG (DE) | 1999-04-07 | — | — | EP | claimed |
| WO-1997046535-A1 | 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-12-11 | — | — | WO | claimed |
| EP-0128382-B1 | 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO-CYCLOHEXANES AND/OR 1-ALKYL-4-ISOCYANATO-METHYL-ISOCYANATO-CYCLOHEXANES AND THE LIKE DIAMINES, PROCESSES FOR THEIR PREPARATION, AND USE | BASF Aktiengesellschaft (DE) | 1989-09-27 | — | — | EP | disclosed |
| EP-0091054-B1 | 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1985-10-02 | — | — | EP | disclosed |
| US-4512929-A | POLYURETHANE MONOMERS, PLANT SAFENING AGENT | BASF AKTIENGESELLSCHAFT (DE) | 1985-04-23 | — | — | US | disclosed |
| EP-0128382-A1 | 1-Alkyl-2-isocyanatomethyl-isocyanato-cyclohexanes and/or 1-alkyl-4-isocyanato-methyl-isocyanato-cyclohexanes and the like diamines, processes for their preparation, and use | BASF Aktiengesellschaft (DE) | 1984-12-19 | — | — | EP | disclosed |
| EP-0091054-A1 | 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | disclosed |