Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL18571267 | 0.77 | ALDH1A1 (0.49) | ALDH1A1HPGDSMN1; SMN2HTTCYP2C19 | |
| SCHEMBL8361650 | 0.76 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2HTTCYP2C19 | |
| SCHEMBL6383725 | 0.74 | TAAR1 (0.48) | ALDH1A1HPGDSMN1; SMN2CYP2C19KMT2A | |
| SCHEMBL8369227 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HPGDSMN1; SMN2CYP2C19PKM | |
| SCHEMBL6383723 | 0.74 | TAAR1 (0.43) | ALDH1A1HPGDSMN1; SMN2CYP2C19KMT2A | |
| SCHEMBL8605597 | 0.74 | CYP2C19 (0.47) | ALDH1A1HPGDSMN1; SMN2HTTCYP2C19 | |
| SCHEMBL24425821 | 0.73 | MEN1 (0.44) | ALDH1A1HPGDSMN1; SMN2CYP2C19KMT2A | |
| SCHEMBL6122214 | 0.73 | KMT2A (0.55) | ALDH1A1SMN1; SMN2HTTKMT2AMEN1 | |
| SCHEMBL14861266 | 0.72 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2CYP2C19KMT2A | |
| SCHEMBL24425811 | 0.72 | LMNA (0.46) | ALDH1A1HPGDSMN1; SMN2CYP2C19KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2146996-A1 | XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT | AstraZeneca AB (SE) | 2010-01-27 | — | — | EP | disclosed |
| WO-2008130314-A1 | XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT | ASTRAZENECA AB (SE) | 2008-10-30 | — | — | WO | disclosed |