Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 6/20 | 0.34 |
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | MMP13 | P45452 | 3/20 | 0.34 |
| ▸ | MMP14 | P50281 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | PFKFB2 | O60825 | 1/20 | 0.33 |
| ▸ | PFKFB1 | P16118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4174694 | 0.91 | CTSL (0.41) | MEN1KMT2ASCN9ACTSLCTSS | |
| SCHEMBL4113611 | 0.87 | MEN1 (0.37) | MEN1KMT2AHTR1AHTR1DP2RY14 | |
| SCHEMBL4167968 | 0.81 | DPP4 (0.45) | MEN1KMT2AHTR1AHTR1DHSP90AA1 | |
| SCHEMBL4167971 | 0.81 | DPP4 (0.45) | MEN1KMT2AHTR1AHTR1DHSP90AA1 | |
| SCHEMBL4160587 | 0.79 | CTSL (0.40) | MEN1KMT2ASCN9ACTSLCTSS | |
| SCHEMBL4175462 | 0.75 | ITGB2 (0.48) | ITGB2ICAM1ITGALMMP2 | |
| SCHEMBL4119690 | 0.75 | SCN9A (0.55) | MEN1KMT2AP2RY14ITGB2ICAM1 | |
| SCHEMBL4102277 | 0.75 | SCN9A (0.55) | MEN1KMT2AP2RY14ITGB2ICAM1 | |
| SCHEMBL4162896 | 0.74 | CTSL (0.42) | MEN1KMT2ASCN9ACTSLCTSS | |
| SCHEMBL4166348 | 0.73 | DPP4 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1912706-A4 | NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIE (IN) | 2009-05-27 | — | — | EP | disclosed |
| EP-1912706-A2 | NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS | Aurigene Discovery Technologies Limited (IN) | 2008-04-23 | — | — | EP | disclosed |
| WO-2006134613-A2 | NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2006-12-21 | — | — | WO | disclosed |