Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | ESR1 | P03372 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | KDR | P35968 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | STS | P08842 | 1/20 | 0.49 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL26718655 | 0.94 | ALDH1A1 (0.66) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL6057220 | 0.88 | ALDH1A1 (0.72) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| Isopropyl 4-Hydroxybenzoate SCHEMBL8859562 | 0.88 | ESR1 (0.78) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL11704981 | 0.85 | ALDH1A1 (0.59) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL6057198 | 0.85 | CA12 (0.70) | ALDH1A1TSHRTDP1LMNACA12 | |
| SCHEMBL16449395 | 0.83 | ALDH1A1 (0.66) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL15124256 | 0.83 | CA1 (0.63) | ALDH1A1ESR1TDP1LMNACA12 | |
| SCHEMBL26461299 | 0.83 | ALDH1A1 (0.65) | ALDH1A1TSHRESR1LMNACA12 | |
| Isopropyl Alcohol SCHEMBL28972725 | 0.81 | ALDH1A1 (0.72) | ALDH1A1TSHRESR1TDP1CHRM1 | |
| SCHEMBL28660827 | 0.81 | ALDH1A1 (0.68) | ALDH1A1TSHRESR1LMNASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001051529-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001051528-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |