Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.68 |
| ▸ | PI4KA | P42356 | 4/20 | 0.68 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.68 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.68 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
| ▸ | BLM | P54132 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | THPO | P40225 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11400740 | 0.81 | ADORA2A (0.68) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL3245641 | 0.81 | ADORA2A (1.00) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL12143426 | 0.79 | ADORA2A (0.67) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL978424 | 0.79 | ADORA2A (1.00) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL12844563 | 0.78 | ADORA2A (0.61) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL10394463 | 0.77 | ADCY5 (0.55) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL21435666 | 0.75 | ADORA2A (1.00) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL24708227 | 0.75 | YTHDC1 (0.88) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| Methyl Alcohol SCHEMBL10438261 | 0.75 | ADORA2A (0.91) | ADORA2API4KAPI4K2BPI4K2API4KB | |
| SCHEMBL12775424 | 0.75 | ADORA2A (0.61) | ADORA2API4KAPI4K2BPI4K2API4KB |
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 |
|---|---|---|---|---|---|---|---|
| US-20050065171-A1 | Substituted purine derivatives | ARIAD PHARMACEUTICALS, INC. | 2005-03-24 | — | — | US | disclosed |
| WO-2005009348-A2 | SUBSTITUTED PURINE DERIVATIVES | ARIAD PHARMACEUTICALS, INC. (US) | 2005-02-03 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050065171-A1 | Substituted purine derivatives | ADORA2A, PNP, HPRT1 | ADORA2A 1/4885PI4KA 4241/4885PI4K2B 4237/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.