Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.44 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | APEX1 | P27695 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
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 SCHEMBL27530006 | 0.89 | TDP1 (0.53) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Catechol SCHEMBL18152581 | 0.87 | ALDH1A1 (0.56) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Catechol SCHEMBL19460980 | 0.85 | CA12 (0.48) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Benzoquinone SCHEMBL11668509 | 0.82 | TDP1 (0.55) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Benzoquinone SCHEMBL8027191 | 0.82 | TDP1 (0.55) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Benzoquinone SCHEMBL4443896 | 0.82 | ALDH1A1 (0.62) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Phenol SCHEMBL27542557 | 0.80 | TDP1 (0.58) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Benzoquinone SCHEMBL4450121 | 0.79 | ALDH1A1 (0.59) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Phloroglucinol SCHEMBL7456238 | 0.78 | CYP3A4 (0.48) | KDM4ETDP1MAPTHPGDCYP3A4 | |
| Benzoquinone SCHEMBL285749 | 0.76 | MAPT (0.64) | KDM4ETDP1MAPTHPGDCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996001862-A1 | METHODS FOR THE PREPARATION OF INHERENTLY METAL BINDING POLY-AMINE-QUINONE POLYMERS | ERHAN SEMIH (US) | 1996-01-25 | — | — | WO | disclosed |