Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 12/20 | 0.41 |
| ▸ | CA1 | P00915 | 10/20 | 0.41 |
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA7 | P43166 | 5/20 | 0.41 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | CA3 | P07451 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27780672 | 0.79 | CA2 (0.44) | CA2CA1CA12CA7CA9 | |
| SCHEMBL27998991 | 0.78 | ALDH1A1 (0.38) | ALDH1A1KDM4ECA2CA1CA12 | |
| SCHEMBL27998700 | 0.78 | CA1 (0.39) | ALDH1A1KDM4ECA2CA1ALDH2 | |
| SCHEMBL1913756 | 0.77 | GAA (0.50) | ALDH1A1KDM4ECA2CA1CA12 | |
| SCHEMBL113366 | 0.77 | CA1 (0.52) | ALDH1A1KDM4ECA2CA1CA12 | |
| Hydrochloric Acid SCHEMBL28213767 | 0.76 | CA1 (0.38) | ALDH1A1KDM4ECA2CA1ALDH2 | |
| SCHEMBL30851364 | 0.73 | LMNA (0.43) | ALDH1A1KDM4ECA2CA1CA12 | |
| SCHEMBL3091347 | 0.73 | KDM4E (0.46) | ALDH1A1KDM4ECA2CA1CA12 | |
| SCHEMBL14431630 | 0.73 | KDM4E (0.46) | ALDH1A1KDM4ECA2CA1CA12 | |
| Sulfamide SCHEMBL29026073 | 0.72 | ALDH1A1 (0.55) | ALDH1A1KDM4ECA2CA1CA12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7655688-B2 | Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-7655689-B2 | Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-7655688-B2 | Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-7655689-B2 | Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-02-02 | — | — | US | disclosed |
| US-7517904-B2 | Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-04-14 | — | — | US | disclosed |
| US-7517904-B2 | Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-04-14 | — | — | US | disclosed |
| US-7470797-B2 | Fused heterocyclic imido and amido compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |
| US-7470797-B2 | Fused heterocyclic imido and amido compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-30 | — | — | US | disclosed |