Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.50 |
| ▸ | GRB2 | P62993 | 2/20 | 0.46 |
| ▸ | CTSS | P25774 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.43 |
| ▸ | CTSL | P07711 | 3/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.41 |
| ▸ | ECE1 | P42892 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8250178 | 0.77 | ALPI (0.51) | MMP2 | |
| SCHEMBL4428861 | 0.74 | MMP1 (0.58) | MMP1MMP2MMP3 | |
| SCHEMBL6846291 | 0.74 | MMP1 (0.58) | MMP1MMP2MMP3 | |
| SCHEMBL4428864 | 0.74 | MMP1 (0.58) | MMP1MMP2MMP3 | |
| SCHEMBL16254302 | 0.73 | NPC1 (0.53) | CTSSCTSKMMP3ALDH1A1THRB | |
| SCHEMBL5618974 | 0.72 | TACR1 (0.57) | CTSSCTSKCTSLCTSBALDH1A1 | |
| SCHEMBL2628426 | 0.72 | TAAR1 (0.52) | CTSSCTSKALDH1A1 | |
| SCHEMBL8175870 | 0.72 | TAAR1 (0.52) | CTSSCTSKALDH1A1 | |
| SCHEMBL8318346 | 0.72 | TAAR1 (0.52) | CTSSCTSKALDH1A1 | |
| SCHEMBL3267717 | 0.72 | HTT (0.48) | MMP1ATMALDH1A1HSD17B10 |
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-1006122-B1 | PHENETHYLAMINE DERIVATIVES | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2008-12-03 | — | — | EP | disclosed |