Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GPR3 | P46089 | 1/20 | 0.46 |
| ▸ | MPO | P05164 | 1/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14985883 | 0.75 | GPR3 (0.55) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL16432784 | 0.74 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL19988074 | 0.74 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL17194216 | 0.74 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL637147 | 0.74 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL29693664 | 0.74 | GPR3 (0.53) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL15083814 | 0.74 | ALDH1A1 (0.58) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL15522679 | 0.73 | KMT2A (0.53) | ALDH1A1HPGDHSD17B10GPR3RAD52 | |
| SCHEMBL17904025 | 0.73 | ALDH1A1 (0.56) | ALDH1A1CYP1A2HPGDNUDT1HSD17B10 | |
| SCHEMBL28363563 | 0.72 | KMT2A (0.41) | ALDH1A1CYP1A2GPR3RAD52NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2680851-B1 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME (US) | 2016-08-17 | — | — | EP | disclosed |
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |
| US-8907086-B2 | Fused bicyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors | MERCK SHARP & DOHME CORP. (US) | 2014-12-09 | — | — | US | disclosed |
| WO-2012118945-A2 | FUSED BICYCLIC HETEROCYCLES USEFUL AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-09-07 | — | — | WO | disclosed |