Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ME2 | P23368 | 13/20 | 0.55 |
| ▸ | ME1 | P48163 | 13/20 | 0.55 |
| ▸ | ME3 | Q16798 | 13/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29576869 | 1.00 | ME2 (0.55) | ME2ME1ME3DRD4DEGS1 | |
| SCHEMBL18621601 | 0.80 | GRIN2D (0.51) | DRD4RETGAAMAPTRAB9A | |
| SCHEMBL941651 | 0.80 | AKR1C3 (0.57) | RETAKR1C3GAAMAPTNPC1 | |
| SCHEMBL18923057 | 0.80 | SMO (0.53) | ME2ME1ME3MAPTNPC1 | |
| SCHEMBL17987101 | 0.77 | FYN (0.54) | ME2ME1ME3FYNRAB9A | |
| SCHEMBL11956907 | 0.77 | UBE2T (0.54) | ME2ME1ME3DRD4MAPT | |
| SCHEMBL21551525 | 0.77 | ME2 (0.66) | ME2ME1ME3DRD4AKR1C3 | |
| SCHEMBL27848381 | 0.76 | PANK3 (0.43) | RETAKR1C3MAPTNPC1RAB9A | |
| SCHEMBL26298353 | 0.76 | KDM4E (0.56) | GAAMAPTKMT2A | |
| SCHEMBL20355749 | 0.76 | PANK3 (0.50) | RET |
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-115551850-A | Small molecule inhibitors of galectin-3 | 百时美施贵宝公司 | 2022-12-30 | — | — | CN | disclosed |