Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CTSA | P10619 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | EIF4E | P06730 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMO | O15229 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL989121 | 0.81 | EIF4E (0.47) | TSHRMAPK1HPGDALDH1A1EIF4E | |
| SCHEMBL990659 | 0.79 | ALDH1A1 (0.46) | TSHRMAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL6224544 | 0.74 | APP (0.45) | AKR1C3AKR1C2KMO | |
| SCHEMBL6224259 | 0.72 | SMN1; SMN2 (0.47) | TSHRMAPK1SMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL3030242 | 0.72 | PDK1 (0.43) | TSHRMAPK1SMN1; SMN2NPC1HPGD | |
| SCHEMBL9576016 | 0.70 | CHEK1 (0.53) | TSHRMAPK1SMN1; SMN2NPC1HPGD | |
| SCHEMBL29485896 | 0.70 | MAPK1 (0.64) | TSHRMAPK1ALDH1A1MAPTPOLB | |
| SCHEMBL29348 | 0.70 | MAPK1 (0.64) | TSHRMAPK1ALDH1A1MAPTPOLB | |
| SCHEMBL21580836 | 0.70 | TSHR (0.51) | TSHRMAPK1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL9597051 | 0.70 | TSHR (0.51) | TSHRMAPK1SMN1; SMN2ALDH1A1POLB |
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-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 |