Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 6/20 | 0.40 |
| ▸ | RXRA | P19793 | 5/20 | 0.40 |
| ▸ | RXRG | P48443 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13897614 | 0.82 | TSHR (0.44) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL20192381 | 0.82 | TSHR (0.44) | NPC1ALDH1A1PLA2G1BNFKB1CASP3 | |
| SCHEMBL38902 | 0.72 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CYP3A4MAPK1MAPT | |
| Benzene SCHEMBL27873242 | 0.72 | ALDH1A1 (0.40) | ALDH1A1L3MBTL1CYP3A4MAPK1MAPT | |
| SCHEMBL8631558 | 0.72 | MAPK1 (0.33) | ALDH1A1CYP3A4MAPK1ALOX15TSHR | |
| SCHEMBL3181513 | 0.71 | TSHR (0.52) | NPC1ALDH1A1RAB9AMAPK1MAPT | |
| SCHEMBL28130609 | 0.70 | TSHR (0.37) | ALDH1A1TP53TDP1TSHR | |
| SCHEMBL24948229 | 0.70 | ACHE (0.41) | RXRBRXRANPC1ALDH1A1RAB9A | |
| SCHEMBL7924117 | 0.70 | MAPK1 (0.42) | ALDH1A1MAPK1ALOX15HSD17B10TDP1 | |
| SCHEMBL11646120 | 0.70 | RXRB (0.59) | RXRBRXRARXRGGABRA1GABRB2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103459405-B | Process for producing transition metal complex, catalyst for trimerization, process for producing 1-hexene, process for producing substituted cyclopentadiene compound (1) | 住友化学株式会社 | 2016-09-28 | — | — | CN | disclosed |