Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.78 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2C | P28335 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.46 |
| ▸ | ARRB1 | P49407 | 1/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9297947 | 0.92 | TSHR (0.73) | TSHRALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL11867116 | 0.88 | ALDH1A1 (1.00) | TSHRALDH1A1KDM4ESLC6A3OPRM1 | |
| SCHEMBL11870408 | 0.87 | ALDH1A1 (0.72) | TSHRALDH1A1KDM4ECYP1A2CYP3A4 | |
| SCHEMBL9710602 | 0.87 | ALDH1A1 (0.72) | TSHRALDH1A1SLC6A3OPRM1OPRL1 | |
| SCHEMBL9173912 | 0.86 | ALDH1A1 (0.71) | TSHRALDH1A1SLC6A3OPRM1OPRL1 | |
| SCHEMBL9711021 | 0.85 | ALDH1A1 (0.64) | TSHRALDH1A1HTR2ASLC6A3SIGMAR1 | |
| SCHEMBL11872237 | 0.84 | ALDH1A1 (0.68) | TSHRALDH1A1SLC6A3OPRM1OPRK1 | |
| SCHEMBL11867863 | 0.84 | ALDH1A1 (0.68) | TSHRALDH1A1SLC6A3OPRM1OPRK1 | |
| SCHEMBL11861506 | 0.84 | ALDH1A1 (0.68) | TSHRALDH1A1SLC6A3OPRM1OPRK1 | |
| SCHEMBL9296560 | 0.83 | ALDH1A1 (0.74) | TSHRALDH1A1KDM4ESLC6A3OPRM1 |
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-1992018480-A1 | 1,3,4-TRISUBSTITUTED PIPERIDINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-29 | — | — | WO | disclosed |