Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | SCN1A | P35498 | 1/20 | 0.55 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.55 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.55 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8930279 | 0.98 | MEN1 (0.60) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL3867134 | 0.91 | MEN1 (0.59) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL16476539 | 0.85 | MEN1 (0.52) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL8149684 | 0.85 | ERCC5 (0.57) | MEN1KMT2AALDH1A1HPGDLMNA | |
| Hydrochloric Acid SCHEMBL2071964 | 0.84 | ERCC5 (0.56) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL3197607 | 0.83 | TAAR1 (0.59) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL11832091 | 0.83 | SMYD3 (0.50) | MEN1KMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL18069755 | 0.82 | MEN1 (0.45) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL16078003 | 0.81 | MEN1 (0.47) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL5931368 | 0.80 | EPHX2 (0.55) | MEN1KMT2AALDH1A1HPGDLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011062853-A1 | QUINOLIZIDINONE CARBOXAMIDE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2011-05-26 | — | — | WO | disclosed |
| WO-2010039124-A1 | BENZENESULFONIC ACID SALT COMPOUNDS | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-04-08 | — | — | WO | disclosed |