Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TTR | P02766 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.37 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.37 |
| ▸ | FLT1 | P17948 | 1/20 | 0.37 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3363358 | 0.80 | ALDH1A1 (0.64) | ALDH1A1PKMKMT2AMEN1MAPT | |
| SCHEMBL3131907 | 0.80 | ALDH1A1 (0.60) | ALDH1A1PKMKMT2AMEN1RAB9A | |
| SCHEMBL3536336 | 0.80 | ALDH1A1 (0.69) | ALDH1A1PKMMAPTL3MBTL1 | |
| SCHEMBL1822004 | 0.80 | CYP1A2 (0.42) | ALDH1A1TTRPKMKMT2AMEN1 | |
| SCHEMBL1819883 | 0.80 | TTR (0.41) | ALDH1A1TTRKMT2AMEN1MAPT | |
| SCHEMBL26984384 | 0.77 | ALDH1A1 (0.45) | ALDH1A1PKMKMT2AMEN1HTT | |
| SCHEMBL396110 | 0.77 | ALDH1A1 (0.64) | ALDH1A1PKMKMT2AMEN1MAPT | |
| SCHEMBL496339 | 0.77 | GPR35 (0.51) | ALDH1A1TTRPKMKMT2AMEN1 | |
| SCHEMBL27847551 | 0.77 | ALDH1A1 (0.56) | ALDH1A1PKMMAPTL3MBTL1HTT | |
| SCHEMBL2998222 | 0.77 | ALDH1A1 (0.56) | ALDH1A1PKMKMT2AMEN1MAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951042-B1 | SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-10 | — | — | EP | disclosed |
| EP-1951051-B1 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2012-10-03 | — | — | EP | disclosed |
| US-7968540-B2 | Spirohydantoin tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7947677-B2 | Spirolactam tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |
| US-20090281080-A1 | Spirohydantoin Tricyclic CGRP Receptor Antagonists | MERCK SHARP & DOHME LLC | 2009-11-12 | — | — | US | disclosed |
| US-20090105219-A1 | Spirolactam Tricyclic CGRP Receptor Antagonists | MERCK SHARP & DOHME LLC | 2009-04-23 | — | — | US | disclosed |
| EP-1951051-A2 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1951042-A2 | SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007061694-A2 | SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007061692-A2 | SPIROLACTAM TRICYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | 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-20090105219-A1 | Spirolactam Tricyclic CGRP Receptor Antagonists | BDKRB1, CALCRL, BDKRB2 | ALDH1A1 962/4885TTR 1700/4885PKM 1634/4885 |
| US-20090281080-A1 | Spirohydantoin Tricyclic CGRP Receptor Antagonists | BDKRB1, BDKRB2, CCKBR | ALDH1A1 1140/4885TTR 2298/4885PKM 3918/4885 |
“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.