Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16382259 | 0.77 | MMP1 (0.39) | MMP1MMP2MMP3ALDH1A1PKM | |
| SCHEMBL15256430 | 0.75 | MMP1 (0.35) | MMP1MMP2MMP3ALDH1A1PKM | |
| SCHEMBL16382107 | 0.74 | MMP1 (0.42) | MMP1MMP2MMP3ALDH1A1PKM | |
| SCHEMBL7083160 | 0.74 | TSHR (0.42) | SMN1; SMN2TSHR | |
| SCHEMBL15256400 | 0.72 | GAA (0.35) | MMP1MMP2MMP3ALDH1A1PKM | |
| SCHEMBL28235928 | 0.70 | MMP1 (0.36) | MMP1MMP2MMP3PKMSMN1; SMN2 | |
| SCHEMBL9060419 | 0.66 | — | — | |
| SCHEMBL16321447 | 0.65 | — | — | |
| SCHEMBL10057401 | 0.65 | — | — | |
| SCHEMBL43129 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2824097-A1 | Prolinamide derivative as thrombin inhibitor, preparation method and application thereof | Shanghai Institute of Pharmaceutical Industry (CN) | 2015-01-14 | — | — | EP | disclosed |