Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 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 | |
|---|---|---|---|---|
| SCHEMBL2015118 | 0.85 | MAPK1 (0.30) | — | |
| SCHEMBL10494072 | 0.81 | TAAR1 (0.41) | TAAR1ESR2NOTUMIDO1HSD17B1 | |
| SCHEMBL9648703 | 0.81 | ALOX5 (0.44) | TAAR1ESR2NOTUMIDO1CHRNB4 | |
| SCHEMBL2012242 | 0.79 | MAPK1 (0.38) | MEN1KMT2APTGS2 | |
| SCHEMBL16720131 | 0.79 | ESR2 (0.47) | TAAR1ESR2NOTUMIDO1HSD17B1 | |
| SCHEMBL9646878 | 0.79 | TAAR1 (0.39) | TAAR1ESR2NT5ENOTUMIDO1 | |
| SCHEMBL2012944 | 0.79 | MGAM (0.42) | TAAR1ESR2NOTUMIDO1HSD17B1 | |
| SCHEMBL2428030 | 0.79 | HSD17B1 (0.33) | NOTUMHSD17B1HSD17B2ALDH1A1KDM4E | |
| SCHEMBL9769410 | 0.79 | HSD17B1 (0.45) | ESR2HSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL7004734 | 0.79 | AKR1C2 (0.39) | NOTUMIDO1MEN1ALDH1A1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020117075-A1 | ARYLSULFONAMIDES OF 2-ARYLPYRROLE-3-CARBOXAMIDES FOR THE TREATMENT OF CNS DISORDERS | JAGIELLONIAN UNIVERSITY (PL) | 2020-06-11 | — | — | WO | disclosed |
| WO-2013182433-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-12-12 | — | — | WO | disclosed |
| EP-2547687-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2013-01-23 | — | — | EP | disclosed |
| EP-2513067-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011113820-A1 | A PROCESS USING GRIGNARD REAGENTS | BASF SE (DE) | 2011-09-22 | — | — | WO | disclosed |
| WO-2011073145-A1 | METHOD FOR PRODUCING TRIAZOLINTHIONE DERIVATIVES AND INTERMEDIATES THEREOF | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |