Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TPH1 | P17752 | 6/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7244671 | 0.89 | ALDH1A1 (0.51) | NPSR1ADORA3ADORA2AADORA1TSHR | |
| SCHEMBL2229906 | 0.83 | NPSR1 (0.56) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL6982880 | 0.82 | TPH1 (0.56) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7981524 | 0.82 | RAB9A (0.47) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3945635 | 0.82 | ADORA1 (0.60) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7978506 | 0.81 | ALDH1A1 (0.46) | NPSR1ADORA3ADORA1TPH1TSHR | |
| Benzoguanamine SCHEMBL8849771 | 0.80 | ADORA1 (0.61) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7776751 | 0.79 | LMNA (0.40) | NPSR1TSHRALDH1A1ALOX15LMNA | |
| SCHEMBL5159281 | 0.78 | NPSR1 (0.54) | NPSR1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL3133857 | 0.77 | TPH1 (0.60) | NPSR1ADORA3ADORA1TPH1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197957-B1 | CATALYTIC REACTION WITH CARBON MONOXIDE | CYTEC TECHNOLOGY CORP. | 2001-03-06 | — | — | US | disclosed |
| EP-0649842-B1 | Process for preparing derivatives of (halo)amino compounds by carbonylation | CYTEC TECH CORP (US) | 1998-06-03 | — | — | EP | disclosed |
| EP-0649842-A1 | Process for preparing derivatives of (halo)amino compounds by carbonylation | CYTEC TECHNOLOGY CORP. (US) | 1995-04-26 | — | — | EP | disclosed |