Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 2/20 | 0.49 |
| ▸ | DDO | Q99489 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 4/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27656659 | 0.87 | SIGMAR1 (0.40) | DAODDOBRD4SIGMAR1KDR | |
| SCHEMBL2972341 | 0.80 | DAO (0.43) | DAODDOBRD4KDRCHEK1 | |
| SCHEMBL27656658 | 0.76 | CYP2D6 (0.43) | DAODDOBRD4KDRCHEK1 | |
| SCHEMBL13203949 | 0.73 | PDK2 (0.43) | — | |
| SCHEMBL7817900 | 0.68 | SIGMAR1 (0.54) | SIGMAR1CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1660350 | 0.68 | SIGMAR1 (0.62) | SIGMAR1CYP2D6SLC6A2SLC6A4CA12 | |
| Piperazine SCHEMBL28114055 | 0.68 | DAO (0.49) | DAODDOBRD4KDRCHEK1 | |
| Azetidine SCHEMBL8198613 | 0.67 | DAO (0.51) | DAODDOBRD4KDRCHEK1 | |
| SCHEMBL31149055 | 0.67 | HRH4 (0.51) | DAODDOBRD4SIGMAR1KDR | |
| SCHEMBL105569 | 0.67 | MAOB (0.48) | DAODDOBRD4SIGMAR1KDR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7772244-B2 | Therapeutic agents for the treatment of migraine | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-7772244-B2 | Therapeutic agents for the treatment of migraine | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| US-7772244-B2 | Therapeutic agents for the treatment of migraine | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-08-10 | — | — | US | disclosed |
| EP-1730137-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | Bristol-Myers Squibb Company (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005095383-A1 | HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-10-13 | — | — | WO | disclosed |
| US-20050215576-A1 | Novel therapeutic agents for the treatment of migraine | BRISTOL-MYERS SQUIBB COMPANY | 2005-09-29 | — | — | 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-20050215576-A1 | Novel therapeutic agents for the treatment of migraine | CALCRL, CALCR, CALCA | DAO 4439/4885DDO 4533/4885BRD4 1473/4885 |
“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.