Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.46 |
| ▸ | FASN | P49327 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.42 |
| ▸ | P4HB | P07237 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14102466 | 0.83 | CA12 (0.52) | CA12CA1CA2CA6CA9 | |
| SCHEMBL7112617 | 0.81 | PBRM1 (0.50) | CA1CA2CA9KDM4EALDH1A1 | |
| SCHEMBL27810318 | 0.80 | AKT1 (0.59) | CA12CA1CA2CA6CA9 | |
| SCHEMBL30495832 | 0.80 | AKT1 (0.59) | CA12CA1CA2CA6CA9 | |
| SCHEMBL12895147 | 0.80 | ESR1 (0.54) | CA12CA1CA2CA6CA9 | |
| SCHEMBL9246954 | 0.79 | CA12 (0.46) | CA12CA1CA2CA9FASN | |
| SCHEMBL367640 | 0.79 | AKT1 (0.58) | KDM4EALDH1A1GAAMAPT | |
| SCHEMBL1080742 | 0.78 | CA12 (0.45) | CA12CA1CA2CA6CA9 | |
| Resorcinol SCHEMBL17183831 | 0.78 | CA12 (0.50) | CA12CA1CA2CA6CA9 | |
| SCHEMBL1806027 | 0.78 | ALDH5A1 (0.59) | CA12CA1CA2CA6CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4387229-A | ANALGESICS, TRANQUILIZERS, SEDATIVES | PFIZER INC. (US) | 1983-06-07 | — | — | US | disclosed |
| US-4332942-A | 3-(2-Hydroxy-4-(substituted)phenyl)azacycloalkanes as analgesics | PFIZER, INC. (US) | 1982-06-01 | — | — | US | disclosed |
| US-4263438-A | 3-[2,4-(Disubstituted)-phenyl]azacycloalkanones as analgesics | PFIZER INC. (US) | 1981-04-21 | — | — | US | disclosed |
| US-4147872-A | 3-[2-Hydroxy-4-(substituted)-phenyl]azacycloalkanes and derivatives thereof as analgesic agents and intermediates therefor | PFIZER INC. (US) | 1979-04-03 | — | — | US | disclosed |