Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 6/20 | 0.55 |
| ▸ | F11 | P03951 | 2/20 | 0.50 |
| ▸ | MMP2 | P08253 | 4/20 | 0.46 |
| ▸ | MMP14 | P50281 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | VCP | P55072 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28746529 | 0.92 | MMP13 (0.56) | MMP13F11MMP2MMP14KDM4E | |
| SCHEMBL28746525 | 0.92 | MMP13 (0.56) | MMP13F11MMP2MMP14KDM4E | |
| SCHEMBL28746477 | 0.88 | MMP13 (0.58) | MMP13F11MMP2KDM4ERAB9A | |
| SCHEMBL28941302 | 0.88 | MMP13 (0.58) | MMP13F11MMP2KDM4ERAB9A | |
| SCHEMBL22718569 | 0.88 | MMP13 (0.67) | MMP13MMP2MMP14KDM4ERAB9A | |
| SCHEMBL28292641 | 0.87 | MMP13 (0.66) | MMP13MMP2MMP14KDM4ERAB9A | |
| SCHEMBL28292644 | 0.87 | MMP13 (0.66) | MMP13MMP2MMP14KDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL23466637 | 0.86 | MMP13 (0.65) | MMP13MMP2MMP14KDM4ERAB9A | |
| Hydrochloric Acid SCHEMBL23466639 | 0.86 | MMP13 (0.65) | MMP13MMP2MMP14KDM4ERAB9A | |
| SCHEMBL28746496 | 0.85 | MMP13 (0.64) | MMP13F11MMP2MMP14KDM4E |
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-114539158-A | FXIa inhibitor compound and preparation method and application thereof | 沈阳药科大学 | 2022-05-27 | — | — | CN | disclosed |