Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3604155 | 0.87 | CPA1 (0.53) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL3604160 | 0.87 | CPA1 (0.53) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL8481116 | 0.87 | CYP2A6 (0.58) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL7313868 | 0.79 | CYP2A6 (0.59) | CYP2A6TAAR1KMT2ACA1CA2 | |
| SCHEMBL3592798 | 0.79 | CTSL (0.53) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL13052618 | 0.79 | CTSL (0.53) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL11716035 | 0.78 | CYP2A6 (0.47) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL11722905 | 0.77 | CYP2C19 (0.51) | CYP2A6TAAR1MMP2MMP9MMP8 | |
| SCHEMBL10420802 | 0.76 | CTNNB1 (0.60) | TSHRKMT2AMEN1NPC1KMO | |
| SCHEMBL29478399 | 0.76 | CYP2A6 (0.51) | CYP2A6TAAR1MMP2MMP9MMP8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5459131-A | Renin inhibitors | AMERICAN CYANAMID COMPANY (US) | 1995-10-17 | — | — | US | disclosed |