Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 6/20 | 0.43 |
| ▸ | CES1 | P23141 | 6/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA3 | P07451 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL68148 | 0.96 | ALDH1A1 (0.59) | ALDH1A1TSHRTP53CES2CES1 | |
| SCHEMBL20587670 | 0.96 | ALDH1A1 (0.59) | ALDH1A1TSHRTP53CES2CES1 | |
| Ammonia Solution, Strong SCHEMBL2023211 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRTP53CES2CES1 | |
| SCHEMBL28787222 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRTP53CES2CES1 | |
| SCHEMBL6758498 | 0.93 | ALDH1A1 (0.64) | ALDH1A1TSHRTP53CES2CES1 | |
| Hydrochloric Acid SCHEMBL2362644 | 0.93 | ALDH1A1 (0.56) | ALDH1A1TSHRTP53CES2CES1 | |
| Benzene SCHEMBL10386399 | 0.90 | ALDH1A1 (0.54) | ALDH1A1TSHRTP53CES2CES1 | |
| SCHEMBL11417369 | 0.87 | CES2 (0.60) | ALDH1A1TSHRTP53CES2CES1 | |
| SCHEMBL10670934 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TSHRTP53CES2CES1 | |
| Methylene Chloride SCHEMBL29223376 | 0.87 | ALDH1A1 (0.52) | ALDH1A1TSHRTP53CES2CES1 |
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-4621134-A | Aromatic polythioetheramide | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1986-11-04 | — | — | US | disclosed |