Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 3/20 | 0.52 |
| ▸ | PGK2 | P07205 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30586458 | 0.98 | PGK1 (0.53) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL4126405 | 0.98 | PGK1 (0.53) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL7775624 | 0.84 | CA12 (0.47) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL6262029 | 0.81 | CA2 (0.65) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL11805321 | 0.81 | CA12 (0.44) | PGK1PGK2CA2CA4CA5A | |
| SCHEMBL31258324 | 0.79 | CES2 (0.43) | CA12MMP2CA9CA14CES2 | |
| SCHEMBL778059 | 0.79 | CES2 (0.43) | CA12MMP2CA9CA14CES2 | |
| SCHEMBL11223303 | 0.77 | CES2 (0.41) | CA12MMP2CA9CA14CES2 | |
| SCHEMBL12230088 | 0.76 | CA12 (0.41) | CA2CA12MMP2CA9CA14 | |
| SCHEMBL11097114 | 0.76 | CES2 (0.40) | PGK1PGK2CA12MMP2CA9 |
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-20120043692-A1 | NUCLEATING AGENT AND THERMOPLASTIC COMPOSITIONS COMPRISING THE SAME | CONNOR DANIEL M (US) | 2012-02-23 | — | — | US | disclosed |