Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 4/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.38 |
| ▸ | MAP3K8 | P41279 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2434147 | 0.74 | MAPT (0.48) | ADORA1NPC1PDGFRBRAB9ASMN1; SMN2 | |
| SCHEMBL24105873 | 0.72 | MAP3K8 (0.48) | ADORA1COMTMAP3K8CYP11B1CYP11B2 | |
| SCHEMBL14478722 | 0.70 | MAP4K4 (0.50) | COMTNPC1PDGFRBKDRFLT3 | |
| SCHEMBL14478703 | 0.69 | SQOR (0.49) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25273226 | 0.68 | MAOA (0.39) | CYP11B1CYP11B2 | |
| SCHEMBL14478724 | 0.68 | BRD4 (0.50) | COMT | |
| SCHEMBL17532865 | 0.67 | L3MBTL1 (0.46) | ADORA1MAPK1NPC1PDGFRBKDR | |
| SCHEMBL10105111 | 0.66 | PSMB5 (0.49) | ADORA1MAPK1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL25259029 | 0.66 | PTGER1 (0.42) | MAPK1NPC1RAB9ASMN1; SMN2CYP11B1 | |
| SCHEMBL29858359 | 0.66 | PTGER1 (0.42) | MAPK1NPC1RAB9ASMN1; SMN2CYP11B1 |
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-9309199-B2 | Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders | MERCK SHARP & DOHME CORP. (US) | 2016-04-12 | — | — | US | disclosed |
| US-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME LLC | 2013-01-03 | — | — | 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 (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-20130005744-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | COMT, PNMT, TPMT | ADORA1 1948/4885COMT 1/4885MAP3K8 2632/4885 |
“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.