Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | GRB2 | P62993 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 4/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3598386 | 0.86 | ALDH1A1 (0.48) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 | |
| SCHEMBL3598385 | 0.86 | ALDH1A1 (0.48) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 | |
| SCHEMBL31370237 | 0.82 | PKM (0.53) | PKMGRB2KDM4ESLC7A5PTGS1 | |
| SCHEMBL18324527 | 0.81 | PKM (0.52) | PKMSMN1; SMN2KDM4ESLC7A5PTGS1 | |
| SCHEMBL12986191 | 0.79 | SMN1; SMN2 (0.48) | SMN1; SMN2KDM4EHSD17B10ALOX15NPSR1 | |
| SCHEMBL9619978 | 0.78 | SMN1; SMN2 (0.50) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 | |
| SCHEMBL9619825 | 0.77 | NPSR1 (0.53) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 | |
| SCHEMBL11601135 | 0.77 | PKM (0.51) | PKMPTPN1KDM4ESLC7A5PTGS1 | |
| SCHEMBL10233667 | 0.74 | NPSR1 (0.53) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 | |
| SCHEMBL2923502 | 0.73 | SMN1; SMN2 (0.78) | PKMSMN1; SMN2KDM4EHSD17B10ALOX15 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7842808-B2 | calcitonin gene-related peptide receptors antagonists such as 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid[2-(1,4-dioxa-8-aza-spiro [4.5]dec-8-yl)-1-(1H-indol-5-ylmethyl)-2-oxo-ethyl]-amide, used for treating headaches, pain, hot flashes or respiratory system disorders | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-11-30 | — | — | US | disclosed |
| US-7754732-B2 | Spirocyclic anti-migraine compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-07-13 | — | — | US | disclosed |
| US-7645754-B2 | Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use | OSI PHARMACEUTICALS, INC. (US) | 2010-01-12 | — | — | US | disclosed |
| US-20080261943-A1 | PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARMACEUTICALS, INC. (US) | 2008-10-23 | — | — | US | disclosed |
| US-7314883-B2 | Anti-migraine treatments | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-01 | — | — | US | disclosed |
| US-20070232600-A1 | ANTI-MIGRAINE TREATMENTS | BRISTOL-MYERS SQUIBB COMPANY | 2007-10-04 | — | — | US | disclosed |
| US-20070148093-A1 | Non-terminal method of identifying anti-migraine compounds | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-28 | — | — | US | disclosed |
| US-20070149503-A1 | ANTI-MIGRAINE SPIROCYCLES | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-28 | — | — | US | disclosed |
| US-20070149502-A1 | SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-28 | — | — | US | disclosed |
| US-7220862-B2 | Calcitonin gene related peptide receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-22 | — | — | US | disclosed |
| US-20040204397-A1 | Calcitonin gene related peptide receptor antagonists | BRISTOL-MYERS SQUIBB COMPANY | 2004-10-14 | — | — | 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 (6 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-20080261943-A1 | PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | NR0B2, NR0B1, ADORA2B | PKM 4003/4885SMN1; SMN2 3769/4885PTPN1 4342/4885 |
| US-20070148093-A1 | Non-terminal method of identifying anti-migraine compounds | VDAC1, HTR3B, FAAH | PKM 4214/4885SMN1; SMN2 1611/4885PTPN1 1702/4885 |
| US-20070149503-A1 | ANTI-MIGRAINE SPIROCYCLES | CALCRL, CALCR, CALCA | PKM 3965/4885SMN1; SMN2 4203/4885PTPN1 3325/4885 |
| US-20070149502-A1 | SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS | CALCRL, CALCR, CALCA | PKM 3822/4885SMN1; SMN2 4015/4885PTPN1 3142/4885 |
| US-20070232600-A1 | ANTI-MIGRAINE TREATMENTS | BDKRB2, PTGIR, CALCRL | PKM 3843/4885SMN1; SMN2 3920/4885PTPN1 3695/4885 |
| US-20040204397-A1 | Calcitonin gene related peptide receptor antagonists | CALCRL, CALCA, CALCR | PKM 4615/4885SMN1; SMN2 4413/4885PTPN1 3131/4885 |
“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.