Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.35 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MDM4 | O15151 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TYR | P14679 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30502357 | 0.85 | HDAC4 (0.41) | HDAC4HDAC8HDAC2KIF11KAT6A | |
| SCHEMBL336444 | 0.85 | HDAC4 (0.41) | HDAC4HDAC8HDAC2KIF11KAT6A | |
| SCHEMBL336023 | 0.82 | LMNA (0.46) | CCR5TRPA1TAAR1LMNATDP1 | |
| SCHEMBL29576488 | 0.80 | BCHE (0.36) | KIF11BCHE | |
| SCHEMBL7122909 | 0.75 | PGR (0.39) | HDAC4HDAC8HDAC2KDM4ETSHR | |
| SCHEMBL6905050 | 0.74 | TAAR1 (0.47) | CCR5TRPA1TAAR1LMNASMN1; SMN2 | |
| SCHEMBL7778471 | 0.74 | HDAC4 (0.56) | HDAC4HDAC8HDAC2KIF11KAT6A | |
| SCHEMBL335496 | 0.74 | TAAR1 (0.56) | TRPA1TAAR1LMNAKDM4EALDH1A1 | |
| Benzene SCHEMBL7084450 | 0.70 | HDAC4 (0.54) | HDAC4HDAC8HDAC2KIF11KAT6A | |
| SCHEMBL4379785 | 0.69 | TAAR1 (0.50) | TRPA1TAAR1LMNAALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6703458-B2 | COORDINATION CATALYSTS; SPHERICAL MORPHOLOGY | BASELL POLYOLEFINE GMBH (DE) | 2004-03-09 | — | — | US | disclosed |
| US-20030018146-A1 | Catalyst components for the polymerization of olefins | EQUISTAR CHEMICALS, LP | 2003-01-23 | — | — | US | disclosed |