Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | LDHA | P00338 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11853391 | 0.97 | ALDH1A1 (0.51) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11848882 | 0.96 | RXFP1 (0.51) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11839415 | 0.96 | ALDH1A1 (0.51) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11859555 | 0.93 | RXFP1 (0.51) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11849779 | 0.91 | RXFP1 (0.54) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11848850 | 0.90 | RXFP1 (0.54) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11851457 | 0.89 | RXFP1 (0.59) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11851640 | 0.88 | TSHR (0.53) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Cadaverine Tartrate SCHEMBL11853045 | 0.87 | TSHR (0.49) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR | |
| Hydrochloric Acid SCHEMBL11849895 | 0.87 | RXFP1 (0.49) | ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR |
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-3998953-A | 1,3,7-Trisubstitued xanthine peripheral vasodilators | BOEHRINGER INGELHEIM GMBH (DT) | 1976-12-21 | — | — | US | disclosed |