Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | CA9 | Q16790 | 1/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.56 |
| ▸ | CYP1A1 | P04798 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | RAD52 | P43351 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL2884396 | 0.88 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29509911 | 0.88 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5154770 | 0.83 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL667942 | 0.83 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL31240957 | 0.83 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18855065 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9838572 | 0.81 | CA12 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL18800306 | 0.79 | HTT (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL17377389 | 0.79 | CA12 (0.56) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8722412 | 0.78 | CA12 (0.54) | CA12CA1CA2CA7CA9 |
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-6084133-A | REACTING A PHOSPHINE HALIDE WITH A METAL, THEN PROTONATION RESULTING DIORGANO-SUBSTITUTED METAL PHOSPHIDE; SIMPLIFICATION, NONTOXIC, EFFICIENCY | KANKYO KAGAKU CENTER CO., LTD. (JP) | 2000-07-04 | — | — | US | disclosed |