Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 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 | |
|---|---|---|---|---|
| SCHEMBL5071409 | 1.00 | LOXL2 (0.42) | LOXL2TSHRAOC3HRH3HRH4 | |
| SCHEMBL7644722 | 0.84 | AOC3 (0.54) | LOXL2AOC3NPC1RAB9AFLT3 | |
| Hydrochloric Acid SCHEMBL5073482 | 0.77 | LOXL2 (0.41) | LOXL2TSHRAOC3HRH3HRH4 | |
| Hydrochloric Acid SCHEMBL5073488 | 0.77 | LOXL2 (0.41) | LOXL2TSHRAOC3HRH3HRH4 | |
| Indene SCHEMBL6247868 | 0.76 | CA1 (0.36) | LOXL2AOC3HRH4NPC1RAB9A | |
| Indene SCHEMBL4305388 | 0.76 | CA1 (0.36) | LOXL2AOC3HRH4NPC1RAB9A | |
| SCHEMBL10831681 | 0.71 | NPC1 (0.56) | HRH3NPC1RAB9AALDH1A1CA12 | |
| Naphthalene SCHEMBL28356058 | 0.71 | TSHR (0.71) | TSHRCYP2A6MAPT | |
| SCHEMBL9662 | 0.68 | — | — | |
| SCHEMBL451157 | 0.68 | TSHR (0.86) | TSHRCYP2A6MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1417031-B1 | AMINE ELIMINATION PROCESS FOR MAKING SINGLE-SITE CATALYSTS | EQUISTAR CHEM LP (US) | 2008-05-07 | — | — | EP | disclosed |