Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 4/20 | 0.59 |
| ▸ | CA1 | P00915 | 4/20 | 0.59 |
| ▸ | CA2 | P00918 | 4/20 | 0.59 |
| ▸ | CA7 | P43166 | 4/20 | 0.59 |
| ▸ | CA9 | Q16790 | 4/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.59 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.42 |
| ▸ | ABAT | P80404 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8674955 | 0.95 | CA12 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8650205 | 0.81 | MAPT (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27592818 | 0.80 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL10339529 | 0.80 | MAPT (0.45) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9330992 | 0.80 | TSHR (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8815811 | 0.79 | PDCD1 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9816950 | 0.79 | MAOB (0.53) | PDCD1CD274LMNAADRB2ADRB1 | |
| Isopropyl 4-Hydroxybenzoate SCHEMBL8772651 | 0.78 | CA12 (0.82) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9389363 | 0.76 | CYP4A11 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3024474 | 0.75 | CA12 (0.71) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0216530-B1 | LIQUID CRYSTAL CARBONATOBENZOIC ACID DERIVATIVE AND COMPOSITION | Chisso Corporation (JP) | 1991-10-23 | — | — | EP | disclosed |
| US-4816181-A | FOR DISPLAYS | CHISSO CORPORATION (JP) | 1989-03-28 | — | — | US | disclosed |
| EP-0216530-A1 | Liquid crystal carbonatobenzoic acid derivative and composition | Chisso Corporation (JP) | 1987-04-01 | — | — | EP | disclosed |