Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | TGM2 | P21980 | 3/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | F13A1 | P00488 | 1/20 | 0.37 |
| ▸ | TGM1 | P22735 | 1/20 | 0.37 |
| ▸ | TGM3 | Q08188 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL7991721 | 0.83 | ALDH1A1 (0.47) | ALDH1A1CYP2C19TSHRAKT1HTT | |
| Benzene SCHEMBL6429767 | 0.82 | LMNA (0.37) | ALDH1A1CYP2C19TSHRAKT1TGM2 | |
| Phenol SCHEMBL3261952 | 0.81 | CA12 (0.48) | ALDH1A1TDP1CYP2C19TSHRAKT1 | |
| Benzene SCHEMBL15863437 | 0.79 | ALDH1A1 (0.35) | ALDH1A1CYP2C19TSHRAKT1TGM2 | |
| Aniline SCHEMBL28784815 | 0.79 | TSHR (0.46) | ALDH1A1CYP2C19TSHRAKT1MAOA | |
| Styrene SCHEMBL28310414 | 0.79 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP2C19TSHRAKT1 | |
| Bromobenzene SCHEMBL27949361 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP2C19AKT1MAOA | |
| Bromobenzene SCHEMBL27764170 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TDP1CYP2C19TSHRAKT1 | |
| Allylbenzene SCHEMBL28252908 | 0.78 | CYP1A2 (0.47) | ALDH1A1TDP1CYP2C19TSHRMAOB | |
| SCHEMBL9630131 | 0.76 | TGM2 (0.47) | TGM2HTTLMNAKMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-6321844-A | — | — | None | — | — | JP | disclosed |
| JP-H06321844-A | TOLAN DERIVATIVE COMPOUND, LIQUID CRYSTAL MATERIAL AND LIQUID CRYSTAL ELEMENT CONTAINING THE SAME | JAPAN CARLIT CO LTD:THE | 1994-11-22 | — | — | JP | disclosed |