Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | CDC25B | P30305 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | SNCA | P37840 | 2/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.39 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.39 |
| ▸ | S100A4 | P26447 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7538817 | 0.72 | ACHE (0.38) | MAOAMAOBALDH1A1SMN1; SMN2 | |
| SCHEMBL5904469 | 0.70 | TNKS2 (0.36) | IDO1CDC25BMAOAMAOBSNCA | |
| SCHEMBL20034224 | 0.66 | NOTUM (0.33) | CDC25BMEN1KMT2ACDC25AALDH1A1 | |
| SCHEMBL29689764 | 0.64 | KMT2A (0.50) | CDC25BMAOAS100A4MEN1KMT2A | |
| SCHEMBL278741 | 0.64 | KMT2A (0.50) | CDC25BMAOAS100A4MEN1KMT2A | |
| SCHEMBL1664032 | 0.63 | HTR6 (0.32) | — | |
| SCHEMBL19774414 | 0.63 | CDC25B (0.72) | IDO1CDC25BMAOAMAOBSNCA | |
| SCHEMBL342296 | 0.62 | ANPEP (0.38) | MAOAMAOBCYP1A2 | |
| Naphthoquinone SCHEMBL27788134 | 0.61 | IDO1 (0.78) | IDO1CDC25BMAOAMAOBSNCA | |
| SCHEMBL7426675 | 0.60 | GSK3A (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2454258-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-05-23 | — | — | EP | claimed |
| WO-2011006569-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | claimed |
| EP-2454258-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-05-23 | — | — | EP | disclosed |
| WO-2011006569-A1 | HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2011-01-20 | — | — | WO | disclosed |