Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.61 |
| ▸ | CA1 | P00915 | 2/20 | 0.61 |
| ▸ | CA2 | P00918 | 2/20 | 0.61 |
| ▸ | CA3 | P07451 | 2/20 | 0.61 |
| ▸ | CA4 | P22748 | 2/20 | 0.61 |
| ▸ | CA9 | Q16790 | 2/20 | 0.61 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Benzoquinone SCHEMBL9140588 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL1706381 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL28524671 | 0.97 | TDP1 (0.65) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL11668509 | 0.90 | TDP1 (0.55) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL8027191 | 0.90 | TDP1 (0.55) | TDP1CA12CA1CA2CA3 | |
| Phenol SCHEMBL9317646 | 0.85 | TDP1 (0.50) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL11475719 | 0.85 | ACHE (0.50) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL51208 | 0.82 | MAPT (0.64) | TDP1CA12CA1CA2CA3 | |
| Benzoquinone SCHEMBL285749 | 0.82 | MAPT (0.64) | TDP1CA12CA1CA2CA3 | |
| Phenol SCHEMBL1887856 | 0.82 | CA12 (0.92) | TDP1CA12CA1CA2CA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3818035-A1 | MOLECULAR ORGANIC MATERIALS DERIVED FROM ANIONIC PARA-QUINONE METHIDE DYES AND THE LIKE, WITH SPECIAL OPTICAL EFFECTS | Centre National de la Recherche Scientifique (CNRS) (FR) | 2021-05-12 | — | — | EP | disclosed |
| WO-2020008051-A1 | MOLECULAR ORGANIC MATERIALS DERIVED FROM ANIONIC PARA-QUINONE METHIDE DYES AND THE LIKE, WITH SPECIAL OPTICAL EFFECTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2020-01-09 | — | — | WO | disclosed |