Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | TNKS | O95271 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 1/20 | 0.44 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ERN1 | O75460 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11081404 | 0.88 | EGFR (0.63) | CA12CA2CA7CA9CA14 | |
| SCHEMBL11155635 | 0.88 | LMNA (0.49) | AKR1B1TNKSEGFRALDH1A1LMNA | |
| SCHEMBL11088040 | 0.88 | MAOB (0.54) | TNKSEGFRALDH1A1LMNAMAPT | |
| SCHEMBL11092361 | 0.87 | TNKS (0.50) | AKR1B1TNKSALDH1A1MAOB | |
| SCHEMBL11091741 | 0.85 | TNKS (0.44) | AKR1B1TNKSEGFRALDH1A1MAPT | |
| SCHEMBL11091573 | 0.84 | CA1 (0.44) | CA1CA2TNKSEGFR | |
| SCHEMBL11090551 | 0.83 | PDE7A (0.53) | MAPT | |
| SCHEMBL68855 | 0.80 | HDAC4 (0.53) | AKR1B1CA12CA1CA2CA7 | |
| SCHEMBL11091248 | 0.79 | SMN1; SMN2 (0.51) | AKR1B1EGFRALDH1A1MAPTMAOB | |
| SCHEMBL11095573 | 0.78 | CA12 (0.45) | AKR1B1CA12CA1CA2CA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4471129-A | ANTIHISTAMINES | LILLY INDUSTRIES LIMITED (GB) | 1984-09-11 | — | — | US | disclosed |
| US-4448787-A | ANTIALLERGENS | LILLY INDUSTRIES LIMITED (GB) | 1984-05-15 | — | — | US | disclosed |
| US-4304728-A | 2,6-DIHYDROXY-2,5-HEXADIENOIC ACID DERIVATIVES, ANTIHISTAMINE INTERMEDIATES | LILLY INDUSTRIES LIMITED (GB) | 1981-12-08 | — | — | US | disclosed |