Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.66 |
| ▸ | CA1 | P00915 | 5/20 | 0.66 |
| ▸ | CA2 | P00918 | 5/20 | 0.66 |
| ▸ | CA7 | P43166 | 5/20 | 0.66 |
| ▸ | CA9 | Q16790 | 5/20 | 0.66 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.66 |
| ▸ | ESR1 | P03372 | 4/20 | 0.66 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | KDR | P35968 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9448967 | 1.00 | CA12 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30876053 | 0.88 | PDCD1 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9590127 | 0.85 | LMNA (0.67) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10974887 | 0.85 | NPC1 (0.54) | ALDH1A1TSHRTDP1LMNASMN1; SMN2 | |
| SCHEMBL9734263 | 0.84 | ESR1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9734259 | 0.84 | ESR1 (0.69) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9733455 | 0.83 | CA1 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9733667 | 0.83 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9733673 | 0.83 | CA12 (0.76) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9733449 | 0.83 | CA1 (0.65) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5118442-A | Photochemical stability; low temperature range; rapid response | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-06-02 | — | — | US | disclosed |
| EP-0410142-A2 | Optically active liquid crystal compounds | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1991-01-30 | — | — | EP | disclosed |