Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29756136 | 0.91 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| SCHEMBL1041972 | 0.91 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| SCHEMBL87841 | 0.91 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| Biphenyl SCHEMBL27372808 | 0.88 | CYP1A2 (0.52) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| Phosphoric Acid SCHEMBL31540356 | 0.85 | CA12 (0.44) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| Toluene SCHEMBL8134407 | 0.85 | CYP1A2 (0.45) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| Succinic Acid SCHEMBL13725740 | 0.84 | MTNR1A (0.46) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| Propionic Acid SCHEMBL4245247 | 0.83 | MTNR1A (0.47) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| SCHEMBL372269 | 0.83 | HPRT1 (0.47) | CYP1A2CYP1A1CYP1B1CA12CA9 | |
| SCHEMBL31391373 | 0.80 | MTNR1A (0.48) | CYP1A2CYP1A1CYP1B1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105199708-A | Photochromic compounds | TRANSITIONS OPTICAL INC | 2015-12-30 | — | — | CN | disclosed |
| CN-102272114-B | Photochromic compounds | TRANSITIONS OPTICAL, INC. (US) | 2015-09-02 | — | — | CN | disclosed |