Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.49 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11192374 | 0.85 | OPRM1 (0.47) | DPP4FAPDPP8DPP9DPP7 | |
| SCHEMBL11196676 | 0.82 | DPP4 (0.33) | DPP4DPP8DPP9DPP7 | |
| SCHEMBL11195880 | 0.80 | ALDH1A1 (0.42) | DPP4THRBSMN1; SMN2NPC1RAB9A | |
| SCHEMBL4729725 | 0.80 | SMN1; SMN2 (0.50) | DPP4SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11375303 | 0.79 | CPT1A (0.54) | DPP4SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11192909 | 0.79 | PREP (0.52) | DPP4SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL11200789 | 0.75 | SMN1; SMN2 (0.51) | SMN1; SMN2TSHRPKMALDH1A1MEN1 | |
| SCHEMBL11200586 | 0.75 | DPP4 (0.36) | DPP4TSHRDPP8DPP9 | |
| SCHEMBL11193905 | 0.75 | GBA2 (0.33) | DPP4TSHRDPP8DPP9DPP7 | |
| SCHEMBL11371767 | 0.74 | DPP4 (0.45) | DPP4SMN1; SMN2ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-4376731-A | 2-NITRILES THEREOF | BOEHRINGER MANNHEIM GMBH (DE) | 1983-03-15 | — | — | US | disclosed |