Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | ESR1 | P03372 | 5/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CNR1 | P21554 | 4/20 | 0.44 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL51085 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Benzene SCHEMBL11421230 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Benzene SCHEMBL27946537 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Water SCHEMBL27929084 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| SCHEMBL29110944 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Barium SCHEMBL30124829 | 0.98 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Ethylene SCHEMBL28540957 | 0.96 | ALDH1A1 (0.56) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Phenol SCHEMBL8430215 | 0.94 | ESR1 (0.61) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Formaldehyde SCHEMBL674141 | 0.94 | ALDH1A1 (0.54) | ALDH1A1TSHRTDP1ESR1ESR2 | |
| Bicarbonate SCHEMBL5604857 | 0.94 | ALDH1A1 (0.54) | ALDH1A1TSHRTDP1ESR1ESR2 |
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-4087402-A | USED FOR TREATMENT OF INORGANIC FILLERS | KENRICH PETROCHEMICALS, INC. (US) | 1978-05-02 | — | — | US | disclosed |