Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 8/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5851331 | 0.80 | KMT2A (0.50) | KMT2ASLC6A4SLC6A2LMNATSHR | |
| SCHEMBL11269562 | 0.77 | ALDH1A1 (0.40) | MAPK1KDM4EALDH1A1POLBHTT | |
| SCHEMBL12499665 | 0.70 | MAPK1 (0.43) | KMT2ASLC6A4SLC6A2MAPK1MEN1 | |
| SCHEMBL30952648 | 0.68 | KMT2A (0.50) | KMT2ASLC6A4SLC6A2LMNAPOLB | |
| SCHEMBL11412911 | 0.68 | KMT2A (0.49) | KMT2ASLC6A4SLC6A2LMNAMEN1 | |
| SCHEMBL11153317 | 0.68 | NOTUM (0.45) | KMT2ASLC6A4SLC6A2MAPK1 | |
| SCHEMBL7804499 | 0.67 | TSHR (0.54) | KMT2ASLC6A4LMNAMEN1ALDH1A1 | |
| SCHEMBL11502513 | 0.66 | MTNR1A (0.56) | KDM4EALDH1A1MAPTTSHRRAB9A | |
| SCHEMBL7538331 | 0.66 | CYP1A2 (0.44) | ALDH1A1TSHR | |
| SCHEMBL5509034 | 0.66 | PPARG (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2680851-A2 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012118945-A2 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-09-07 | — | — | WO | disclosed |