Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.41 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | FABP3 | P05413 | 1/20 | 0.38 |
| ▸ | MDM4 | O15151 | 1/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7652938 | 0.85 | ALDH1A1 (0.43) | ADORA3ADORA2AALDH1A1KDM4ETSHR | |
| SCHEMBL7656105 | 0.84 | DRD2 (0.39) | ADORA3ADORA2AALDH1A1KDM4ETSHR | |
| SCHEMBL7652262 | 0.83 | NOX4 (0.45) | ADORA3ADORA2AALDH1A1KDM4ETSHR | |
| SCHEMBL7653997 | 0.83 | OPRM1 (0.38) | ADORA3ADORA2AALDH1A1KDM4ETSHR | |
| SCHEMBL7653733 | 0.83 | NPC1 (0.40) | ADORA3ALDH1A1KDM4ETSHRHPGD | |
| SCHEMBL7656086 | 0.81 | CTSK (0.45) | ADORA3ADORA1ADORA2AALDH1A1KDM4E | |
| Dimethylamine SCHEMBL7656702 | 0.81 | ADORA3 (0.48) | ADORA3ADORA1ADORA2AAVPR2AVPR1A | |
| SCHEMBL7656052 | 0.80 | ADORA1 (0.54) | ADORA3ADORA1ADORA2AAVPR2AVPR1A | |
| SCHEMBL7652889 | 0.80 | CTSK (0.45) | ADORA3ADORA1ADORA2AALDH1A1KDM4E | |
| SCHEMBL7651062 | 0.79 | CA1 (0.37) | ADORA3ALDH1A1KDM4ETSHRHPGD |
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-6492407-B2 | NEUROPROTECTIVE ACTIVITY | BOEHRINGER IMGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |