Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 3/20 | 0.56 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.56 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL10472894 | 1.00 | SLC1A1 (0.56) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL7603543 | 0.86 | SLC1A1 (0.47) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL1419749 | 0.81 | ALDH1A1 (0.48) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL9533527 | 0.80 | L3MBTL1 (0.51) | KMT2AMEN1ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL418322 | 0.79 | SLC1A3 (0.76) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL1953602 | 0.79 | SLC1A3 (0.76) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL852209 | 0.79 | SLC1A3 (0.76) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| SCHEMBL8992078 | 0.79 | SLC1A1 (0.41) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 | |
| Bicarbonate SCHEMBL9066694 | 0.78 | ALDH1A1 (0.58) | KMT2AMEN1ALDH1A1MAPK1L3MBTL1 | |
| Water SCHEMBL30419716 | 0.78 | SLC1A3 (0.73) | SLC1A1SLC1A3SLC1A2KMT2ACYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951051-A2 | SPIROHYDANTOIN 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 |
| US-4251539-A | HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1981-02-17 | — | — | US | disclosed |