Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
| ▸ | TPH1 | P17752 | 3/20 | 0.44 |
| ▸ | TPH2 | Q8IWU9 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7758355 | 0.83 | ADORA3 (0.56) | ALDH1A1ADORA3 | |
| SCHEMBL6094064 | 0.76 | KMT2A (0.70) | ALDH1A1KDM4EHPGDMAPTHTT | |
| SCHEMBL6095090 | 0.75 | ALDH1A1 (0.70) | ALDH1A1KDM4EHPGDMAPTHTT | |
| SCHEMBL3136125 | 0.74 | ADORA1 (0.45) | ALDH1A1KDM4EHPGDNPSR1ADORA3 | |
| SCHEMBL7755160 | 0.73 | ADORA2B (0.44) | ADORA3 | |
| SCHEMBL7758998 | 0.72 | ADORA2A (0.45) | ADORA3 | |
| SCHEMBL7758386 | 0.71 | ADORA3 (0.48) | ADORA3 | |
| SCHEMBL555712 | 0.70 | BRD4 (0.71) | ALDH1A1KDM4EHPGDMAPTHTT | |
| SCHEMBL8576721 | 0.70 | KMT2A (0.64) | ALDH1A1KDM4EHPGDMAPTHTT | |
| SCHEMBL7761664 | 0.70 | ADORA3 (0.46) | ADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1084123-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2001-03-21 | — | — | EP | disclosed |
| US-6187780-B1 | ANTIDEPRESSANTS, ANTIASTHMATIC AGENTS; MIGRAINE | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-02-13 | — | — | US | disclosed |
| WO-1999054331-A1 | NOVEL ASYMMETRICALLY SUBSTITUTED XANTHINE DERIVATIVES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS WITH AN ADENOSINE-ANTAGONISTIC EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-10-28 | — | — | WO | disclosed |