Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL29145259 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27427900 | 0.85 | ALDH1A1 (0.32) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL27494214 | 0.81 | — | — | |
| SCHEMBL28593550 | 0.79 | HTR2A (0.38) | CYP3A4HSD17B10 | |
| SCHEMBL28999984 | 0.78 | — | — | |
| SCHEMBL7797191 | 0.76 | MEN1 (0.35) | ALDH1A1 | |
| SCHEMBL11381619 | 0.76 | MAPT (0.32) | HPGDHSD17B10 | |
| SCHEMBL4552605 | 0.76 | ALDH1A1 (0.34) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL11035480 | 0.75 | ALDH1A1 (0.36) | ALDH1A1CYP1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL28670717 | 0.74 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106133019-A | For preparing the preparation method with isocyanate-terminated prepolymer of polyurethane | 梅里利特公司 | 2016-11-16 | — | — | CN | claimed |