Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP12 | P39900 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CXCL8 | P10145 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18113112 | 0.88 | PKM (0.46) | HPGDALDH1A1TDP1ACHECYP4F2 | |
| SCHEMBL3440680 | 0.81 | SMN1; SMN2 (0.42) | ALDH1A1ACHESMN1; SMN2LMNA | |
| SCHEMBL18113062 | 0.80 | MAPT (0.42) | HPGDALDH1A1TDP1ACHECYP4F2 | |
| SCHEMBL18113213 | 0.79 | IAPP (0.44) | ALDH1A1CYP2D6ACHETSHRCYP4F2 | |
| SCHEMBL2427065 | 0.77 | CA12 (0.41) | HPGDALDH1A1CYP2D6TSHRLMNA | |
| SCHEMBL18113088 | 0.77 | HPGD (0.48) | MMP2MMP9MMP12CYP2C9HPGD | |
| SCHEMBL22092402 | 0.76 | PKM (0.43) | ALDH1A1ACHETSHRCYP4F2CYP4A11 | |
| SCHEMBL18113196 | 0.75 | MMP2 (0.52) | MMP2MMP9MMP12CYP2C9HPGD | |
| SCHEMBL165269 | 0.74 | ALDH1A1 (0.41) | CYP2C19ALDH1A1CYP2D6AKR1B1TDP1 | |
| SCHEMBL9683054 | 0.74 | ALDH1A1 (0.40) | ALDH1A1CYP2D6SMN1; SMN2LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |
| WO-2012028100-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012028100-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |