Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SERPINE1 | P05121 | 1/20 | 0.57 |
| ▸ | CA12 | O43570 | 4/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.54 |
| ▸ | CA2 | P00918 | 4/20 | 0.54 |
| ▸ | CA7 | P43166 | 4/20 | 0.54 |
| ▸ | CA9 | Q16790 | 4/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.54 |
| ▸ | ESR1 | P03372 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL541885 | 0.87 | ESR1 (0.62) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL1656743 | 0.84 | CA12 (0.74) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL3451817 | 0.84 | TSHR (0.64) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL23484433 | 0.83 | SERPINE1 (0.83) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL18204382 | 0.82 | ESR1 (0.41) | SERPINE1ESR1TSHRALDH1A1TDP1 | |
| SCHEMBL27659926 | 0.81 | TSHR (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL3088949 | 0.81 | TSHR (0.48) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL10802252 | 0.80 | ESR1 (0.64) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL18542606 | 0.79 | RAB9A (0.56) | SERPINE1CA12CA1CA2CA7 | |
| SCHEMBL2384382 | 0.78 | LMNA (0.61) | 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-4125549-A | FROM ISOOCTYL ALCOHOL AND NEODECANOIC ACID, SULFURIC ACID OR TOLUENESULFONIC ACID CATALYST | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-11-14 | — | — | US | disclosed |