Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9653148 | 0.79 | ADRB1 (0.49) | ALDH1A1GLASLC6A2TP53TSHR | |
| SCHEMBL4902703 | 0.79 | ADRB1 (0.49) | ALDH1A1GLASLC6A2TP53TSHR | |
| SCHEMBL4902708 | 0.79 | ADRB1 (0.49) | ALDH1A1GLASLC6A2TP53TSHR | |
| SCHEMBL9384498 | 0.75 | ALDH1A1 (0.46) | ALDH1A1GLALMNATP53TSHR | |
| SCHEMBL10572116 | 0.74 | PKM (0.38) | ALDH1A1GLAMAOAPKM | |
| SCHEMBL8054602 | 0.73 | ALDH1A1 (0.46) | ALDH1A1GLALMNASLC6A2TP53 | |
| SCHEMBL9385939 | 0.72 | ALDH1A1 (0.41) | ALDH1A1GLALMNACRBNTP53 | |
| SCHEMBL9654091 | 0.70 | ALDH1A1 (0.39) | ALDH1A1GLALMNATP53TSHR | |
| SCHEMBL3687336 | 0.70 | ALDH1A1 (0.54) | ALDH1A1GLALMNAMAOASLC6A2 | |
| SCHEMBL10595272 | 0.69 | ALDH1A1 (0.44) | ALDH1A1GLALMNAMAOASLC6A2 |
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-4863949-A | CARDIOVASCULAR DISORDER TREATMENT | BOEHRINGER MANNHEIM GMBH (DE) | 1989-09-05 | — | — | US | disclosed |