Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 5/20 | 0.45 |
| ▸ | MMP12 | P39900 | 5/20 | 0.45 |
| ▸ | MMP13 | P45452 | 5/20 | 0.45 |
| ▸ | MMP14 | P50281 | 5/20 | 0.45 |
| ▸ | MMP8 | P22894 | 4/20 | 0.45 |
| ▸ | MMP16 | P51512 | 4/20 | 0.45 |
| ▸ | MMP9 | P14780 | 4/20 | 0.45 |
| ▸ | MMP1 | P03956 | 3/20 | 0.45 |
| ▸ | MMP3 | P08254 | 3/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31027927 | 0.84 | APEX1 (0.41) | BCAT2 | |
| Hydrochloric Acid SCHEMBL28765686 | 0.83 | APEX1 (0.41) | — | |
| SCHEMBL6069328 | 0.82 | MMP2 (0.58) | PTGS2MMP2MMP12MMP13MMP14 | |
| SCHEMBL11094199 | 0.81 | MMP2 (0.61) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL7583347 | 0.80 | AKR1B1 (0.58) | PTGS2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL11089149 | 0.76 | MMP2 (0.56) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL16396968 | 0.75 | PTGS2 (0.54) | PTGS2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL1000848 | 0.74 | PTGS2 (0.53) | PTGS2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL28287356 | 0.73 | AKR1B1 (0.67) | PTGS2ABCB11LMNAPTGS1ADORA1 | |
| SCHEMBL9614495 | 0.72 | AKR1B1 (0.50) | PTGS2ABCB11LMNAPTGS1ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101610761-A | 1-amino methyl-L-phenyl-cyclohexane-derivant as the DDP-IV inhibitor | NOVARTIS AG (CH) | 2009-12-23 | — | — | CN | disclosed |