Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL24174705 | 0.87 | CYP2D6 (0.39) | CYP2D6HIF1AAPPTRPA1PDE2A | |
| SCHEMBL23257824 | 0.80 | CA12 (0.45) | CYP2D6HIF1AAPPPGRCYP19A1 | |
| SCHEMBL23258648 | 0.78 | CYP2D6 (0.40) | CYP2D6HIF1AAPPTRPA1GAA | |
| SCHEMBL29172969 | 0.77 | CYP2D6 (0.60) | CYP2D6HIF1ARAB9ANPC1KMT2A | |
| SCHEMBL24173635 | 0.77 | CYP2D6 (0.60) | CYP2D6HIF1ARAB9ANPC1KMT2A | |
| SCHEMBL9262623 | 0.74 | MEN1 (0.46) | CYP2D6HIF1ACYP19A1KMT2AMEN1 | |
| SCHEMBL24176956 | 0.74 | CYP11B2 (0.40) | CYP2D6HIF1APDE2AKMT2AKDM4E | |
| SCHEMBL20559553 | 0.74 | GAA (0.41) | CYP2D6HIF1AAPPPGRCYP19A1 | |
| SCHEMBL9826932 | 0.74 | GAA (0.41) | CYP2D6HIF1AAPPPGRCYP19A1 | |
| SCHEMBL12967200 | 0.72 | APP (0.41) | APPPGRCYP19A1GAARAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021074197-A1 | THIENOPYRIMIDONES AS TRPA1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-04-22 | — | — | WO | disclosed |