Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TFPI2 | P48307 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | BPTF | Q12830 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL2248619 | 1.00 | NOTUM (0.49) | NOTUMAKR1C3CYP2C9CYP2C19TFPI2 | |
| SCHEMBL2875112 | 0.86 | NOTUM (0.42) | NOTUMAKR1C3CYP2C9CYP2C19TFPI2 | |
| SCHEMBL2875114 | 0.86 | NOTUM (0.42) | NOTUMAKR1C3CYP2C9CYP2C19TFPI2 | |
| SCHEMBL10758412 | 0.80 | NOTUM (0.38) | NOTUMAKR1C3CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9805030 | 0.71 | ADORA2A (0.41) | NOTUMTFPI2TSHRBPTFLMNA | |
| SCHEMBL4704945 | 0.71 | NOTUM (0.49) | NOTUMAKR1C3CYP2C9CYP2C19AGTR2 | |
| SCHEMBL17027050 | 0.71 | NOTUM (0.72) | NOTUMAGTR2TSHRALDH1A1USP2 | |
| SCHEMBL27622604 | 0.70 | NOTUM (0.47) | NOTUMAKR1C3CYP2C9CYP2C19AGTR2 | |
| SCHEMBL10768009 | 0.69 | MTNR1A (0.47) | ALDH1A1LMNAMAPK1 | |
| SCHEMBL8386528 | 0.68 | NOTUM (0.45) | NOTUMAKR1C3CYP2C9CYP2C19TFPI2 |
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-1937655-A1 | HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM | University of Massachusetts (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007002173-A1 | HIV-1 PROTEASE INHIBITORS, AND METHODS OF MAKING AND USING THEM | UNIVERSITY OF MASSACHUSETTS (US) | 2007-01-04 | — | — | WO | disclosed |