Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
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 SCHEMBL1782043 | 0.92 | ALDH1A1 (0.45) | ALDH1A1TSHRACHETRPA1ATM | |
| O-Xylene SCHEMBL28088028 | 0.88 | TSHR (0.67) | ALDH1A1TSHRACHETRPA1ATM | |
| Benzene SCHEMBL22829865 | 0.87 | TRPA1 (0.58) | ALDH1A1TSHRACHETRPA1ATM | |
| Biphenyl SCHEMBL11408375 | 0.85 | PDCD1 (0.55) | ALDH1A1TSHRACHETRPA1ATM | |
| O-Xylene SCHEMBL3835918 | 0.84 | TSHR (0.71) | ALDH1A1TSHRACHETRPA1ATM | |
| Biphenyl SCHEMBL27587661 | 0.84 | ACHE (0.71) | ALDH1A1TSHRACHECYP1A2LMNA | |
| SCHEMBL40704 | 0.84 | — | — | |
| SCHEMBL5494561 | 0.84 | TRPA1 (0.61) | ALDH1A1TSHRACHETRPA1ATM | |
| Biphenyl SCHEMBL6930550 | 0.83 | CYP3A4 (0.56) | ALDH1A1TSHRACHETRPA1ATM | |
| SCHEMBL9792867 | 0.83 | PDCD1 (0.53) | ALDH1A1TSHRACHETRPA1ATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2073288-A2 | Composition for organic polymer gate insulating layer and organic thin film transistor using the same | ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) | 2009-06-24 | — | — | EP | disclosed |