Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7462988 | 0.87 | CYP17A1 (0.37) | IDO1 | |
| SCHEMBL7139910 | 0.80 | CYP3A4 (0.34) | ALDH1A1TSHR | |
| SCHEMBL7139681 | 0.79 | TSHR (0.36) | KMT2ATSHRMEN1 | |
| SCHEMBL6165283 | 0.78 | NOTUM (0.34) | ALDH1A1TSHRTP53 | |
| SCHEMBL6607768 | 0.78 | RXFP1 (0.36) | LMNAPOLBIDO1 | |
| SCHEMBL7138174 | 0.78 | EGLN2 (0.37) | ALDH1A1LMNAKMT2ANPSR1TSHR | |
| SCHEMBL7139741 | 0.77 | TUBB4A (0.38) | ALDH1A1LMNAKMT2ATSHRTP53 | |
| SCHEMBL7143167 | 0.76 | ABL1 (0.41) | ALDH1A1KMT2AMEN1CYP1A2CYP2C19 | |
| SCHEMBL7141959 | 0.76 | ALDH1A1 (0.41) | ALDH1A1LMNAKMT2ATSHRTP53 | |
| SCHEMBL7140010 | 0.76 | MEN1 (0.36) | ALDH1A1LMNAKMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1224174-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-07-24 | — | — | EP | disclosed |
| WO-2001029011-A2 | BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-04-26 | — | — | WO | disclosed |