Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 2/20 | 0.55 |
| ▸ | ARG2 | P78540 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | ARG1 | P05089 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 5/20 | 0.47 |
| ▸ | NOS1 | P29475 | 3/20 | 0.44 |
| ▸ | NOS3 | P29474 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.44 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | APEX1 | P27695 | 1/20 | 0.44 |
| ▸ | GRM8 | O00222 | 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 | |
|---|---|---|---|---|
| SCHEMBL2547204 | 1.00 | GSR (0.55) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL2549431 | 1.00 | GSR (0.55) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL2548695 | 0.98 | GSR (0.57) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL2546200 | 0.98 | GSR (0.57) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL2546202 | 0.98 | GSR (0.57) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL600686 | 0.92 | GSR (0.54) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL600685 | 0.92 | GSR (0.54) | GSRARG2CYP1A2ARG1CYP2C19 | |
| SCHEMBL2548396 | 0.92 | GSR (0.54) | GSRARG2CYP1A2ARG1CYP2C19 | |
| Lysine SCHEMBL28194315 | 0.86 | GSR (0.59) | GSRMAPTNOS2GRIK1GRIK2 | |
| Ornithine Aketoglutarate SCHEMBL2323479 | 0.84 | GSR (0.53) | GSRARG2CYP1A2ARG1CYP2C19 |
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-8637686-B2 | Triazole macrocycle systems | AILERON THERAPEUTICS, INC. (US) | 2014-01-28 | — | — | US | claimed |
| US-20110263815-A1 | TRIAZOLE MACROCYCLE SYSTEMS | AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) | 2011-10-27 | — | — | US | claimed |
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-20110263815-A1 | TRIAZOLE MACROCYCLE SYSTEMS | FLT3, VIP, NGLY1 | GSR 3683/4885ARG2 219/4885CYP1A2 3488/4885 |
“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.