Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.44 |
| ▸ | P4HB | P07237 | 1/20 | 0.43 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | SLC2A4 | P14672 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28440522 | 0.82 | CA12 (0.61) | CA12CA1CA2CA6CA9 | |
| SCHEMBL3554217 | 0.80 | CES2 (0.59) | RAB9ANPC1ALDH1A1MAPK1CES2 | |
| SCHEMBL10960544 | 0.78 | CES2 (0.54) | ALDH1A1CES2 | |
| SCHEMBL149288 | 0.77 | CA12 (0.67) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL29890037 | 0.77 | CA12 (0.67) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL161923 | 0.75 | LMNA (0.66) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL79656 | 0.74 | CA12 (0.57) | CA12CA1CA2CA6CA9 | |
| Methyl 3-Hydroxybenzoate SCHEMBL29410714 | 0.74 | P4HB (0.67) | CA12CA1CA2CA6CA9 | |
| Methyl 3-Hydroxybenzoate SCHEMBL67203 | 0.74 | P4HB (0.67) | CA12CA1CA2CA6CA9 | |
| SCHEMBL7773822 | 0.73 | RAB9A (0.61) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315932-A | AND SULFANILAMIDES | BURROUGHS WELLCOME CO. (US) | 1982-02-16 | — | — | US | disclosed |
| EP-0000541-B1 | 1H-PYRIMIDO-(4,5-C)-1,2-DIAZEPINES, METHODS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM; THEIR USE AS INTERMEDIATES FOR HETEROCYCLIC TRANSFORMATIONS. | THE WELLCOME FOUNDATION LIMITED (GB) | 1982-02-03 | — | — | EP | disclosed |
| US-4288365-A | 1H-PYRIMIDO(4,5-C)-1,2-DIAZEPINES | BURROUGHS WELLCOME CO. (US) | 1981-09-08 | — | — | US | disclosed |
| US-4260758-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1981-04-07 | — | — | US | disclosed |
| US-4237289-A | MICROBIOCIDES | BURROUGHS WELLCOME CO. (US) | 1980-12-02 | — | — | US | disclosed |
| EP-0000541-A2 | 1H-Pyrimido-(4,5-c)-1,2-diazepines, methods for their preparation and compositions containing them; their use as intermediates for heterocyclic transformations. | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-02-07 | — | — | EP | disclosed |