Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3244472 | 0.79 | ALDH1A1 (0.36) | ALDH1A1TSHRTDP1 | |
| SCHEMBL11621506 | 0.74 | ALDH1A1 (0.36) | ALDH1A1TSHRDRD4OPRM1DRD3 | |
| SCHEMBL334822 | 0.71 | — | — | |
| Methyl Alcohol SCHEMBL5264660 | 0.69 | ALDH1A1 (0.42) | ALDH1A1TSHRTDP1 | |
| SCHEMBL3615383 | 0.69 | — | — | |
| SCHEMBL10712669 | 0.67 | TSHR (0.33) | ALDH1A1TSHR | |
| SCHEMBL10716641 | 0.67 | — | — | |
| SCHEMBL134598 | 0.65 | — | — | |
| SCHEMBL5348464 | 0.65 | ALDH1A1 (0.37) | ALDH1A1TSHRDRD4OPRM1DRD3 | |
| SCHEMBL19893762 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4111933-A | PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |