Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.69 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.69 |
| ▸ | TSHR | P16473 | 2/20 | 0.68 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | UBE2N | P61088 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10501627 | 0.94 | TSHR (0.74) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| SCHEMBL10178175 | 0.89 | LMNA (0.56) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| Pimefylline SCHEMBL363878 | 0.88 | LMNA (0.70) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| Pimefylline SCHEMBL29974579 | 0.88 | LMNA (0.70) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| SCHEMBL4480581 | 0.84 | ALDH1A1 (0.56) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| Benzene SCHEMBL27777114 | 0.84 | ADORA2B (0.64) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| Toluene SCHEMBL28070325 | 0.83 | ALDH1A1 (0.61) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| SCHEMBL17786242 | 0.83 | ALDH1A1 (1.00) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| Pimefylline SCHEMBL9252493 | 0.82 | LMNA (0.65) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR | |
| SCHEMBL1944405 | 0.82 | ADORA2B (1.00) | ALDH1A1ADORA2BSMN1; SMN2RXFP1TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0167008-B1 | 1,4:3,6-DIANHYDRO-HEXITE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | Heinrich Mack Nachf. (DE) | 1989-09-06 | — | — | EP | disclosed |
| US-4769379-A | Dianhydrohexite derivatives, and their use as pharmaceuticals | HEINRICH MACK NACHF. (DE) | 1988-09-06 | — | — | US | disclosed |
| EP-0167008-A2 | 1,4:3,6-Dianhydro-hexite derivatives, process for their preparation and their use as medicaments | Heinrich Mack Nachf. (DE) | 1986-01-08 | — | — | EP | disclosed |
| US-4150227-A | Process for the production of basic substituted alkyl theophylline | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-04-17 | — | — | US | disclosed |