Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11265581 | 0.83 | MAOA (0.44) | TSHRTAAR1KDM1ACA12CA2 | |
| SCHEMBL4058523 | 0.77 | TAAR1 (0.46) | CYP2D6TAAR1KDM1AIDO1CYP1A2 | |
| SCHEMBL14376716 | 0.77 | GAA (0.49) | GAACYP2D6TSHRHIF1ACA12 | |
| SCHEMBL19233358 | 0.77 | CA12 (0.45) | CYP2D6TSHRHIF1ATAAR1KDM1A | |
| SCHEMBL28894788 | 0.77 | PKM (0.58) | GAACYP2D6TSHRHIF1AKDM1A | |
| SCHEMBL6659252 | 0.76 | CHRM2 (0.62) | GAACYP2D6TSHRHIF1ATAAR1 | |
| SCHEMBL7930135 | 0.76 | TSHR (0.78) | CYP2D6TSHRHIF1ACA12CA2 | |
| Hydrochloric Acid SCHEMBL17710401 | 0.76 | GAA (0.51) | GAACYP2D6TSHRHIF1ACA12 | |
| SCHEMBL19373091 | 0.76 | GAA (0.47) | GAACYP2D6TSHRHIF1ACA12 | |
| SCHEMBL11239485 | 0.75 | TAAR1 (0.55) | TSHRTAAR1KDM1ACA12CA2 |
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-2016012333-A1 | PESTICIDAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-01-28 | — | — | WO | disclosed |
| US-4360511-A | Amines useful as brain imaging agents | MEDI-PHYSICS, INC. (US) | 1982-11-23 | — | — | US | disclosed |
| EP-0011858-A1 | Radioiodine containing amines, their preparation and their use as brain imaging agents | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1980-06-11 | — | — | EP | disclosed |