Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2761191 | 1.00 | TSHR (0.52) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| Hydrogen Peroxide SCHEMBL9456436 | 0.80 | TSHR (0.55) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL4448673 | 0.79 | TSHR (0.61) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL27498402 | 0.79 | TSHR (0.48) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL164244 | 0.77 | ALDH1A1 (0.52) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL686644 | 0.77 | TSHR (0.58) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL249404 | 0.77 | KMT2A (0.55) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL2743453 | 0.77 | TSHR (0.58) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL8683368 | 0.77 | ALDH1A1 (0.52) | TSHRALDH1A1CYP1A2ALOX15ESR1 | |
| SCHEMBL1617443 | 0.77 | ALDH1A1 (0.52) | TSHRALDH1A1CYP1A2ALOX15ESR1 |
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-4996158-A | Optical resolution of racemic alcohols | LION CORPORATION, 3-7, HONJO 1-CHOME, SUMIDA-KU, TOKYO, JAPAN | 1991-02-26 | — | — | US | disclosed |