Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1186657 | 0.80 | POLB (0.44) | PARP1ADORA3ADORA2AADORA1RAB9A | |
| SCHEMBL10328047 | 0.80 | SLC9A1 (0.44) | ADORA3ADORA2AADORA1HSP90AA1SMN1; SMN2 | |
| SCHEMBL30546913 | 0.80 | POLB (0.44) | PARP1ADORA3ADORA2AADORA1RAB9A | |
| SCHEMBL13563783 | 0.76 | BRD4 (0.38) | ADORA3ADORA2AADORA1RAB9ABRD4 | |
| SCHEMBL537916 | 0.75 | FAAH (0.42) | PARP1RAB9AALDH1A1MEN1NPC1 | |
| SCHEMBL23050973 | 0.73 | BRD4 (0.41) | ADORA3ADORA2AADORA1RAB9ABRD4 | |
| SCHEMBL22898718 | 0.73 | ALDH1A1 (0.38) | ADORA3ADORA2AADORA1BRD4SMN1; SMN2 | |
| SCHEMBL23055166 | 0.73 | BRD4 (0.36) | ADORA3ADORA2AADORA1BRD4KDM4E | |
| SCHEMBL22404895 | 0.72 | BRD4 (0.38) | BRD4KDM4ECYP3A4TDP1ALDH1A1 | |
| SCHEMBL12872109 | 0.72 | BRD4 (0.35) | ADORA3ADORA2AADORA1BRD4HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8217169-B2 | Coupling agents for peptide synthesis | UNIVERSITY OF MASSACHUSETTS (US) | 2012-07-10 | — | — | US | disclosed |
| US-7812158-B2 | Coupling agents for peptide synthesis | UNIVERSITY OF MASSACHUSETTS (US) | 2010-10-12 | — | — | US | disclosed |