Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9757950 | 0.93 | MAPT (0.38) | LMNAMAPTCYP2C9CYP1A2CHRM2 | |
| SCHEMBL9758502 | 0.92 | ALDH1A1 (0.35) | TLR4ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL9757951 | 0.90 | NAAA (0.35) | TLR4ALDH1A1LMNACYP3A4TSHR | |
| SCHEMBL9758891 | 0.90 | PKM (0.36) | LMNAMAPTCYP2C9CYP1A2CYP2D6 | |
| SCHEMBL9759586 | 0.89 | NAAA (0.37) | ALDH1A1LMNAMAPTTSHR | |
| SCHEMBL9758171 | 0.89 | NAAA (0.37) | ALDH1A1LMNAMAPTTSHR | |
| SCHEMBL9757982 | 0.89 | MAPT (0.37) | ALDH1A1LMNAMAPTCYP1A2TSHR | |
| SCHEMBL9759148 | 0.87 | MAPT (0.36) | LMNAMAPTCYP1A2CYP3A4TSHR | |
| SCHEMBL9759139 | 0.86 | NAAA (0.37) | ALDH1A1LMNAMAPTTSHRKMT2A | |
| SCHEMBL9759088 | 0.86 | NAAA (0.37) | ALDH1A1LMNAMAPTTSHRKMT2A |
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-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |