Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NQO2 | P16083 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL31173792 | 0.90 | ESR1 (0.52) | RELAALDH1A1TSHRESR1ESR2 | |
| Styrene SCHEMBL3214387 | 0.90 | RELA (0.63) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| Naphthalene SCHEMBL27465863 | 0.90 | ALDH1A1 (0.59) | RELAALDH1A1TSHRESR1ESR2 | |
| SCHEMBL5888428 | 0.88 | ESR1 (0.55) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| SCHEMBL110160 | 0.88 | RELA (0.58) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| SCHEMBL29357489 | 0.88 | RELA (0.58) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| SCHEMBL2997515 | 0.88 | RELA (0.58) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| Anthracene SCHEMBL28663344 | 0.86 | RELA (0.56) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| Hydrochloric Acid SCHEMBL5493921 | 0.86 | RELA (0.56) | RELAALDH1A1TSHRKDM4EL3MBTL1 | |
| Butadiene SCHEMBL23403790 | 0.84 | RELA (0.54) | RELAALDH1A1TSHRKDM4EL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105408446-B | The manufacture method of photochromic optical material | 三井化学株式会社 | 2018-01-09 | — | — | CN | disclosed |
| CN-105431502-B | Polymerizable composition for photochromic optical material | 三井化学株式会社 | 2017-12-26 | — | — | CN | disclosed |