Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | PRKCA | P17252 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 5/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8605437 | 0.94 | ALDH1A1 (0.58) | ALDH1A1TSHRFAAHL3MBTL1KDM4E | |
| SCHEMBL9407615 | 0.94 | ALDH1A1 (0.58) | ALDH1A1TSHRFAAHL3MBTL1KDM4E | |
| SCHEMBL17845803 | 0.94 | ALDH1A1 (0.58) | ALDH1A1TSHRFAAHL3MBTL1KDM4E | |
| SCHEMBL9345494 | 0.91 | TSHR (0.47) | ALDH1A1TSHRPRKCAPRKCDLMNA | |
| SCHEMBL10448638 | 0.90 | TSHR (0.43) | ALDH1A1TSHRPRKCAPRKCDLMNA | |
| SCHEMBL7870401 | 0.90 | TSHR (0.56) | ALDH1A1TSHRPRKCAPRKCDLMNA | |
| SCHEMBL9345586 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TSHRFAAHL3MBTL1KDM4E | |
| SCHEMBL2578004 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNAL3MBTL1KDM4E | |
| SCHEMBL16366695 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNAL3MBTL1KDM4E | |
| SCHEMBL8946967 | 0.84 | CA12 (0.59) | ALDH1A1TSHRLMNACA2CA12 |
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-5587106-A | ELECTROOPTICS | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1996-12-24 | — | — | US | disclosed |