Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.70 |
| ▸ | CA1 | P00915 | 7/20 | 0.70 |
| ▸ | CA4 | P22748 | 3/20 | 0.70 |
| ▸ | CA6 | P23280 | 3/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7489248 | 0.89 | CA1 (0.67) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL28060653 | 0.87 | CA1 (0.65) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL11792546 | 0.87 | CA2 (0.53) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL31497113 | 0.86 | CA1 (0.53) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL31497114 | 0.86 | CA1 (0.53) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL13074083 | 0.85 | CA2 (0.51) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL13074243 | 0.85 | CA2 (0.51) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL19050091 | 0.85 | CA2 (0.51) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL8065454 | 0.81 | CA1 (0.57) | CA2CA1CA4CA6KMT2A | |
| SCHEMBL3144588 | 0.81 | CA1 (0.57) | CA2CA1CA4CA6KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017107789-A1 | COMPOUND HAVING CHIRAL SPIROBIINDANE SKELETON AND PREPARATION METHOD THEREFOR | 浙江九洲药业股份有限公司 | 2017-06-29 | — | — | WO | disclosed |
| EP-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5776983-A | ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |