Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657253 | 0.90 | TLR8 (0.40) | TAAR1GAACYP19A1NR1H2NR1H3 | |
| SCHEMBL15147961 | 0.89 | KCNH2 (0.45) | TAAR1KMT2ACYP19A1POLB | |
| SCHEMBL28016575 | 0.88 | KCNH2 (0.47) | KMT2AALDH1A1CYP19A1NPC1POLB | |
| Ammonia Solution, Strong SCHEMBL27918102 | 0.86 | KCNH2 (0.46) | KMT2AALDH1A1CYP19A1NPC1POLB | |
| SCHEMBL28356909 | 0.86 | KCNH2 (0.50) | TAAR1GAAKMT2ANR1H2NR1H3 | |
| Diphenylmethane SCHEMBL27961456 | 0.84 | KMT2A (0.40) | SMN1; SMN2KMT2AALDH1A1HPGDCYP19A1 | |
| SCHEMBL1723556 | 0.84 | TAAR1 (0.48) | TAAR1GAAKMT2AALDH1A1NR1H2 | |
| SCHEMBL9006306 | 0.83 | TDP1 (0.44) | TAAR1GAAKMT2ANR1H2NR1H3 | |
| SCHEMBL27864776 | 0.83 | CYP19A1 (0.44) | KMT2AALDH1A1CYP19A1NPC1POLB | |
| SCHEMBL10475670 | 0.81 | RNASEH1 (0.37) | TAAR1SMN1; SMN2KMT2AALDH1A1POLB |
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-6492377-B1 | Imidazotriazolopyrimidines with adenosine-antagonistic activity | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |