Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.39 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23124259 | 0.75 | — | — | |
| SCHEMBL5217908 | 0.75 | — | — | |
| Bromide SCHEMBL15569477 | 0.73 | AOC1 (0.44) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL6665692 | 0.72 | AOC1 (0.43) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL23704534 | 0.72 | AOC1 (0.43) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| 4-Imidazolecarboxylic Acid SCHEMBL27315802 | 0.71 | — | — | |
| SCHEMBL11033825 | 0.71 | GAA (0.51) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL10627321 | 0.70 | TP53 (0.45) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL26581877 | 0.70 | HRH3 (0.49) | AOC1NPC1RAB9ATP53SMN1; SMN2 | |
| Water SCHEMBL27319944 | 0.70 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8293899-B2 | Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates | LANXESS DEUTSCHLAND GMBH (DE) | 2012-10-23 | — | — | US | disclosed |
| CN-101405289-A | Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof | WYETH CORP (US) | 2009-04-08 | — | — | CN | disclosed |
| EP-1996594-A2 | PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF | Wyeth a Corporation of the State of Delaware (US) | 2008-12-03 | — | — | EP | disclosed |
| WO-2007109093-A2 | PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AND METHODS OF USE THEREOF | WYETH (US) | 2007-09-27 | — | — | WO | disclosed |
| US-20070219186-A1 | Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof | WYETH (US) | 2007-09-20 | — | — | US | disclosed |
| EP-1340746-B1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | SALTIGO GMBH (DE) | 2007-02-28 | — | — | EP | disclosed |
| US-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-04 | — | — | US | disclosed |
| EP-1340746-A1 | Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives | BAYER AG (DE) | 2003-09-03 | — | — | EP | 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-20030225274-A1 | Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives | GRHPR, HPD, HAAO | AOC1 867/4885NPC1 2400/4885RAB9A 3428/4885 |
| US-20070219186-A1 | Pyrazolo[1,5-A]pyrimidine derivatives and methods of use thereof | DPYD, TYMP, TYMS | AOC1 796/4885NPC1 1135/4885RAB9A 3300/4885 |
“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.