Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKCI | P41743 | 1/20 | 0.79 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.77 |
| ▸ | MAPT | P10636 | 4/20 | 0.77 |
| ▸ | RAD52 | P43351 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | QPCT | Q16769 | 4/20 | 0.44 |
| ▸ | QPCTL | Q9NXS2 | 4/20 | 0.44 |
| ▸ | NAMPT | P43490 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28770871 | 0.89 | PRKCI (0.92) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Benzene SCHEMBL28669834 | 0.89 | PRKCI (0.92) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| SCHEMBL115966 | 0.89 | PRKCI (1.00) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28142031 | 0.87 | KDM4E (1.00) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2227020 | 0.87 | KDM4E (1.00) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Fluoride SCHEMBL31379744 | 0.87 | PRKCI (0.96) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Pyrrole SCHEMBL9769511 | 0.86 | PRKCI (0.58) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Aniline SCHEMBL28485699 | 0.84 | PRKCI (0.82) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Pentane SCHEMBL29004548 | 0.81 | PRKCI (0.77) | PRKCIKDM4EMAPTRAD52ALDH1A1 | |
| Benzimidazole SCHEMBL2790120 | 0.76 | KDM4E (0.42) | PRKCIKDM4EMAPTRAD52ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4996281-A | Poly(benz)imidazole, polybenzoxazole, polybenzothiazole | THE DOW CHEMICAL COMPANY (US) | 1991-02-26 | — | — | US | disclosed |