Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 2/20 | 0.42 |
| ▸ | ACACA | Q13085 | 2/20 | 0.42 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2236651 | 0.81 | NR4A2 (0.48) | KMT2AMAPTHPGDNR4A2MAOA | |
| SCHEMBL2236662 | 0.81 | NR4A2 (0.48) | KMT2AMAPTHPGDNR4A2MAOA | |
| SCHEMBL2233165 | 0.80 | NR4A2 (0.50) | KMT2ANR4A2MAOAMAOBACACB | |
| SCHEMBL2233162 | 0.79 | CA12 (0.46) | KMT2AMAPTHPGDNR4A2MAOA | |
| SCHEMBL13582187 | 0.75 | ALDH1A1 (0.54) | KMT2AMAPTHPGDNPC1RAB9A | |
| SCHEMBL13582189 | 0.75 | ALDH1A1 (0.54) | KMT2AMAPTHPGDNPC1RAB9A | |
| SCHEMBL13582401 | 0.74 | MAOB (0.43) | KMT2AMAPTHPGDNR4A2MAOA | |
| SCHEMBL13582395 | 0.74 | MAOB (0.43) | KMT2AMAPTHPGDNR4A2MAOA | |
| SCHEMBL2235546 | 0.74 | ALOX5 (0.46) | — | |
| SCHEMBL13581835 | 0.74 | NR4A2 (0.45) | MAPTNR4A2MAOAMAOBACACB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011093524-A1 | DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2011-08-04 | — | — | WO | disclosed |