Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL289249 | 0.86 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4TDP1KDM4E | |
| Hydrochloric Acid SCHEMBL8072730 | 0.83 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4TDP1KDM4E | |
| SCHEMBL21993305 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CYP1A2CYP3A4TDP1MAPK1 | |
| Ethane SCHEMBL10649093 | 0.80 | MEN1 (0.42) | ALDH1A1CYP1A2CYP3A4TDP1CA1 | |
| SCHEMBL24467954 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 | |
| SCHEMBL22017677 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 | |
| SCHEMBL13020794 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 | |
| SCHEMBL22972387 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 | |
| SCHEMBL14160250 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 | |
| SCHEMBL14160254 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TAAR1CYP1A2CYP3A4TDP1 |
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-9978949-B2 | Materials for electronic devices | MERCK PATENT GMBH (DE) | 2018-05-22 | — | — | US | disclosed |