Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | CTSV | O60911 | 1/20 | 0.30 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CMA1 | P23946 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL635858 | 0.83 | TRPA1 (0.39) | TRPA1POLBEPHX1NPC1RAB9A | |
| SCHEMBL635859 | 0.83 | TRPA1 (0.39) | TRPA1POLBEPHX1NPC1RAB9A | |
| SCHEMBL4372546 | 0.83 | TRPA1 (0.39) | TRPA1POLBEPHX1NPC1RAB9A | |
| SCHEMBL12401122 | 0.81 | TRPA1 (0.38) | TRPA1POLBNPC1RAB9AMAPT | |
| SCHEMBL14380195 | 0.80 | MMP3 (0.33) | MMP2MMP3 | |
| SCHEMBL636879 | 0.79 | TRPA1 (0.37) | TRPA1POLBNPC1RAB9AMAPT | |
| SCHEMBL636880 | 0.79 | TRPA1 (0.37) | TRPA1POLBNPC1RAB9AMAPT | |
| SCHEMBL15338754 | 0.78 | ALDH1A1 (0.38) | EPHX1MEN1KMT2AEPHX2TSHR | |
| SCHEMBL10107206 | 0.78 | CTSK (0.37) | TRPA1POLBNPC1RAB9AMAPT | |
| SCHEMBL12571864 | 0.78 | TRPA1 (0.36) | TRPA1POLBNPC1RAB9AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440706-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-14 | — | — | US | disclosed |
| US-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |