Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | NPC1 | O15118 | 5/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | IAPP | P10997 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11395099 | 1.00 | CYP1A2 (0.75) | CYP1A2TDP1GLASMN1; SMN2NPC1 | |
| SCHEMBL26382466 | 0.86 | CYP1A2 (1.00) | CYP1A2SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL1359335 | 0.85 | GLA (0.77) | CYP1A2TDP1GLAMAPTALDH1A1 | |
| SCHEMBL1359336 | 0.85 | GLA (0.77) | CYP1A2TDP1GLAMAPTALDH1A1 | |
| SCHEMBL846833 | 0.84 | CYP1A2 (0.75) | CYP1A2TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL818742 | 0.84 | CYP1A2 (0.75) | CYP1A2TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL4001354 | 0.84 | CYP1A2 (0.75) | CYP1A2TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL12993089 | 0.82 | CYP1A2 (0.72) | CYP1A2TDP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1405020 | 0.82 | CYP1A2 (0.72) | CYP1A2TDP1GLAHDAC1 | |
| SCHEMBL2224514 | 0.82 | CYP1A2 (0.72) | CYP1A2TDP1SMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-8802663-B2 | Pyrazole oxadiazole derivatives as S1P1 agonists | MERCK SERONO SA (CH) | 2014-08-12 | — | — | US | disclosed |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | MERCK SERONO SA (CH) | 2012-03-22 | — | — | US | disclosed |
| US-20100197657-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | CHANG RONALD K | 2010-08-05 | — | — | US | 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 (2 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-20100197657-A1 | 2-ARYL OR HETEROARYL INDOLE DERIVATIVES | ASIC1, ASIC3, TRPV1 | CYP1A2 1795/4885TDP1 3953/4885GLA 4000/4885 |
| US-20120071460-A1 | PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS | S1PR1, S1PR3, S1PR2 | CYP1A2 1837/4885TDP1 1799/4885GLA 4271/4885 |
“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.