Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CTSK | P43235 | 11/20 | 0.44 |
| ▸ | CTSS | P25774 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 2/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL148100 | 0.94 | CA1 (0.52) | KMT2ACA1CA2CA7CTSK | |
| SCHEMBL148099 | 0.94 | CA1 (0.52) | KMT2ACA1CA2CA7CTSK | |
| SCHEMBL17957327 | 0.94 | CA1 (0.52) | KMT2ACA1CA2CA7CTSK | |
| SCHEMBL256594 | 0.94 | CA1 (0.52) | KMT2ACA1CA2CA7CTSK | |
| Hydrochloric Acid SCHEMBL28228115 | 0.92 | CA1 (0.50) | KMT2ACA1CA2CA7CTSK | |
| Hydrochloric Acid SCHEMBL30428440 | 0.92 | CA1 (0.50) | KMT2ACA1CA2CA7CTSK | |
| Hydrochloric Acid SCHEMBL28175164 | 0.92 | CA1 (0.50) | KMT2ACA1CA2CA7CTSK | |
| SCHEMBL9980671 | 0.87 | KMT2A (0.50) | KMT2ACA1CA2CA7CTSK | |
| SCHEMBL7057277 | 0.87 | KMT2A (0.50) | KMT2ACA1CA2CA7CTSK | |
| Alanine SCHEMBL9180204 | 0.87 | CA1 (0.46) | KMT2ACA1CA2CA7CTSK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108289866-A | MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF | 纳维托制药有限公司 | 2018-07-17 | — | — | CN | disclosed |