Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPA1 | P15085 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP14 | P50281 | 2/20 | 0.42 |
| ▸ | MMP2 | P08253 | 3/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Phosphine SCHEMBL27430185 | 0.98 | CPA1 (0.52) | CPA1CYP2C9CYP2C19HIF1AEPHX1 | |
| SCHEMBL27529776 | 0.83 | CYP2C9 (0.44) | CPA1CYP2C9CYP2C19HIF1AEPHX1 | |
| SCHEMBL28064653 | 0.81 | SMN1; SMN2 (0.46) | CYP2C9CYP2C19EPHX1MMP1MMP9 | |
| SCHEMBL11598265 | 0.79 | CYP2C9 (0.44) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| SCHEMBL13711836 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| SCHEMBL9133567 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| Cyclohexane SCHEMBL253223 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| SCHEMBL506450 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| Cyclohexane SCHEMBL16341926 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 | |
| SCHEMBL12804034 | 0.79 | CYP2C9 (0.50) | CYP2C9CYP2C19HIF1AEPHX1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102245564-A | Crystalline forms of a 3-carboxypropyl-aminotetralin compound | THERAVANCE INC | 2011-11-16 | — | — | CN | disclosed |
| CN-101896455-A | 3-Carboxypropyl-aminotetralin derivatives as mu opioid receptor antagonists | THERAVANCE INC | 2010-11-24 | — | — | CN | disclosed |
| CN-1044249-C | Matrix metalloprotease inhibitors | SYNTEX INC (US) | 1999-07-21 | — | — | CN | disclosed |
| CN-1134153-A | Matrix metalloprotease inhibitors | SYNTEX INC (US) | 1996-10-23 | — | — | CN | disclosed |