Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.34 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4457137 | 0.86 | HTT (0.40) | NOTUMTDP1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL30721401 | 0.84 | NOTUM (0.45) | NOTUMTDP1KMT2ASMN1; SMN2MAPT | |
| SCHEMBL17373622 | 0.72 | NOTUM (0.42) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27815199 | 0.72 | LMNA (0.52) | NOTUMPOLBKMT2AMAPTHTT | |
| SCHEMBL20766489 | 0.72 | NOTUM (0.41) | NOTUMPOLBKEAP1KMT2AMAPT | |
| SCHEMBL31717453 | 0.72 | TSHR (0.49) | NOTUMPOLBKMT2ASMN1; SMN2MITF | |
| SCHEMBL17743329 | 0.72 | ALDH1A1 (0.47) | NOTUMTDP1KMT2AMAPTHTT | |
| Hydrochloric Acid SCHEMBL23291644 | 0.71 | NOTUM (0.41) | NOTUMKEAP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL17028392 | 0.71 | NOTUM (0.41) | NOTUMTDP1POLBKEAP1ALDH1A1 | |
| SCHEMBL302445 | 0.70 | MAPK9 (0.41) | NOTUMKEAP1KDM4E |
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-2771332-A1 | HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2014-09-03 | — | — | EP | disclosed |
| WO-2013059928-A1 | HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2013-05-02 | — | — | WO | disclosed |