Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 8/20 | 0.43 |
| ▸ | MMP1 | P03956 | 5/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP7 | P09237 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ACACA | Q13085 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL20618550 | 1.00 | GRIN2B (0.44) | GRIN2BMMP13MMP1ITGB3SMYD3 | |
| SCHEMBL23111095 | 0.91 | TSHR (0.46) | ITGB3SMYD3ITGA2BHPGDNPC1 | |
| SCHEMBL20601215 | 0.89 | SMYD3 (0.44) | ITGB3SMYD3ITGA2BHPGDNPC1 | |
| SCHEMBL20601328 | 0.89 | SMYD3 (0.44) | ITGB3SMYD3ITGA2BHPGDNPC1 | |
| SCHEMBL20601234 | 0.88 | KDM4E (0.49) | MMP13MMP1ITGB3SMYD3ITGA2B | |
| SCHEMBL23111438 | 0.88 | KDM4E (0.49) | MMP13MMP1ITGB3SMYD3ITGA2B | |
| SCHEMBL23087998 | 0.81 | KDM4E (0.48) | MMP13MMP1ITGB3ITGA2BNPC1 | |
| SCHEMBL20601309 | 0.81 | KDM4E (0.48) | MMP13MMP1ITGB3ITGA2BSMN1; SMN2 | |
| SCHEMBL23111244 | 0.79 | KDM4E (0.51) | GRIN2BITGB3ITGA2B | |
| SCHEMBL20601452 | 0.79 | KDM4E (0.51) | GRIN2BITGB3ITGA2B |
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-110770222-A | Modulators of indoleamine2, 3-dioxygenase | 葛兰素史克知识产权开发有限公司 | 2020-02-07 | — | — | CN | disclosed |