Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.46 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL23257824 | 0.87 | CA12 (0.45) | ALOX5TSHRTAS1R3TAS1R1CYP19A1 | |
| SCHEMBL10962574 | 0.87 | ALOX5 (0.50) | ALOX5TSHRTAS1R3TAS1R1MAOB | |
| SCHEMBL17996583 | 0.83 | ALOX5 (0.50) | ALOX5TSHRTAS1R3TAS1R1MAOB | |
| SCHEMBL24174705 | 0.80 | CYP2D6 (0.39) | TAS1R3TAS1R1MAOBCYP2D6HIF1A | |
| SCHEMBL24681203 | 0.80 | ALOX5 (0.47) | ALOX5TSHRTAS1R3TAS1R1MAOB | |
| SCHEMBL23257937 | 0.78 | CYP2D6 (0.38) | ALOX5TAS1R3TAS1R1ALDH1A1CYP2D6 | |
| SCHEMBL29172969 | 0.77 | CYP2D6 (0.60) | TAS1R3TAS1R1MAOBKDM4EALDH1A1 | |
| SCHEMBL24173635 | 0.77 | CYP2D6 (0.60) | TAS1R3TAS1R1MAOBKDM4EALDH1A1 | |
| SCHEMBL12248487 | 0.77 | ALOX5 (0.56) | ALOX5TSHRMAOBKDM4EGPR35 | |
| SCHEMBL17996587 | 0.76 | ALOX5 (0.50) | ALOX5TSHRTAS1R3TAS1R1MAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022079092-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-04-21 | — | — | WO | disclosed |
| WO-2022002780-A1 | TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-01-06 | — | — | WO | disclosed |
| WO-2021074197-A1 | THIENOPYRIMIDONES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-04-22 | — | — | WO | disclosed |