Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28852658 | 0.87 | KMT2A (0.57) | HTTALDH1A1GAACYP2C19KMT2A | |
| SCHEMBL354454 | 0.87 | KMT2A (0.57) | HTTALDH1A1GAACYP2C19KMT2A | |
| SCHEMBL6204264 | 0.86 | TSHR (0.53) | HTTALDH1A1LMNAMAPTGAA | |
| Nitrobenzene SCHEMBL27350133 | 0.84 | HTT (0.65) | HTTALDH1A1LMNAMAPTGAA | |
| Nitrobenzene SCHEMBL28079888 | 0.82 | ALDH1A1 (0.55) | HTTALDH1A1LMNAMAPTCYP1A2 | |
| SCHEMBL8970631 | 0.81 | HTT (0.66) | HTTALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL18045536 | 0.79 | HTT (0.62) | HTTALDH1A1MAPTGAACYP1A2 | |
| Dinitrophenylene SCHEMBL27894426 | 0.77 | HTT (0.56) | HTTALDH1A1LMNAMAPTGAA | |
| SCHEMBL28630539 | 0.77 | HTT (0.55) | HTTALDH1A1MAPTGAACYP1A2 | |
| SCHEMBL18045525 | 0.76 | HTT (1.00) | HTTALDH1A1LMNAMAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105683155-A | Novel diamine, polyamic acid, and polyimide | 日产化学工业株式会社 | 2016-06-15 | — | — | CN | disclosed |