Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 6/20 | 0.41 |
| ▸ | CA1 | P00915 | 6/20 | 0.41 |
| ▸ | CA2 | P00918 | 6/20 | 0.41 |
| ▸ | CA9 | Q16790 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19881382 | 0.90 | CA12 (0.43) | CA12CA1CA2CA9MAPT | |
| SCHEMBL29899127 | 0.83 | CHRM2 (0.39) | ALDH1A1MEN1KMT2ACYP2D6LMNA | |
| SCHEMBL2049015 | 0.82 | CHRM2 (0.38) | ALDH1A1MEN1KMT2ACYP2D6LMNA | |
| SCHEMBL1682652 | 0.81 | CHRM2 (0.37) | ALDH1A1MEN1KMT2ACYP2D6LMNA | |
| SCHEMBL23743617 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL24996814 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL5018117 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL23484227 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL19954491 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 | |
| SCHEMBL14339480 | 0.79 | CA12 (0.49) | CA12CA1CA2CA9CYP3A4 |
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-2019067702-A9 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-25 | — | — | WO | disclosed |
| WO-2019075045-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-18 | — | — | WO | disclosed |
| WO-2019067702-A1 | SMALL MOLECULE INHIBITORS OF GALECTIN-3 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-04-04 | — | — | WO | disclosed |
| US-5169842-A | OLIGOPHOSPHATES WITH AN ANTIVIRAL ACTION | BAYER AKTIENGESELLSCHAFT (DE) | 1992-12-08 | — | — | US | disclosed |