Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.52 |
| ▸ | CDC25B | P30305 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MMP3 | P08254 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.46 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.46 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.46 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.46 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27499333 | 0.93 | KMT2A (0.53) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL2117154 | 0.93 | KMT2A (0.53) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL2119946 | 0.92 | KMT2A (0.56) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL27479917 | 0.91 | KMT2A (0.54) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL208341 | 0.83 | TSHR (0.53) | KMT2APOLBMEN1RAB9APTPN1 | |
| SCHEMBL5697601 | 0.81 | KMT2A (0.43) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL29412644 | 0.80 | KMT2A (0.64) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL669060 | 0.80 | KMT2A (0.64) | KMT2APOLBGAANR4A1NR4A2 | |
| SCHEMBL4404102 | 0.78 | NR4A1 (0.59) | KMT2APOLBGAANR4A1NR4A2 | |
| Cesium SCHEMBL30108891 | 0.78 | KMT2A (0.62) | KMT2APOLBGAANR4A1NR4A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101784549-A | Novel macrocyclic inhibitors of hepatitis c virus replication | INTERMUNE INC | 2010-07-21 | — | — | CN | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |