Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 8/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.49 |
| ▸ | CCNK | O75909 | 2/20 | 0.49 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.49 |
| ▸ | CDK2 | P24941 | 2/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.49 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.49 |
| ▸ | PRKCZ | Q05513 | 4/20 | 0.49 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | PRKD2 | Q9BZL6 | 3/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21460264 | 0.91 | IRAK4 (0.45) | IRAK4CCNT1CCNKCCNE1CDK2 | |
| SCHEMBL2666741 | 0.82 | KDM4E (0.53) | KMT2A | |
| SCHEMBL7526224 | 0.82 | KMT2A (0.51) | KMT2A | |
| SCHEMBL377808 | 0.81 | CTSL (0.42) | IRAK4HTR6KMT2A | |
| SCHEMBL3476117 | 0.81 | KDM4E (0.56) | KMT2A | |
| SCHEMBL38662424 | 0.81 | PDPK1 (0.44) | IRAK4CCNT1CCNKCCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL29882259 | 0.80 | CTSL (0.41) | IRAK4KDM1AHTR6KMT2A | |
| SCHEMBL24074639 | 0.79 | KMT2A (0.47) | KMT2A | |
| SCHEMBL3727731 | 0.77 | PRKCZ (0.52) | CDK2PRKCZPRKD2KDM1AMAOB | |
| SCHEMBL8236935 | 0.77 | KDM4E (0.65) | PRKCZPRKD2KDM1AMAOBHTR6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1973918-A2 | DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | RANBAXY LABORATORIES, LTD. (IN) | 2008-10-01 | — | — | EP | disclosed |
| WO-2007077508-A2 | DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2007-07-12 | — | — | WO | disclosed |