Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16084978 | 0.85 | ALDH1A1 (0.49) | NOTUMALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL26093025 | 0.82 | CA12 (0.54) | ALDH1A1HPGDKMT2AMAPTCA12 | |
| SCHEMBL8528733 | 0.79 | TSHR (0.47) | ALDH1A1HPGDKMT2AMAPTCA12 | |
| SCHEMBL15500764 | 0.77 | KMT2A (0.49) | ALDH1A1KMT2AMAPTCA1CA2 | |
| SCHEMBL879847 | 0.71 | ALDH1A1 (0.49) | NOTUMALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL27958440 | 0.70 | MAPT (0.44) | ALDH1A1HPGDKMT2AMAPTTDP1 | |
| SCHEMBL12958097 | 0.70 | MEN1 (0.37) | KMT2ASMN1; SMN2 | |
| SCHEMBL28841147 | 0.70 | HPGD (0.37) | ALDH1A1HPGDKMT2AMAPTTDP1 | |
| SCHEMBL4129229 | 0.70 | ERN1 (0.50) | NOTUMALDH1A1HPGDKMT2AMAPT | |
| SCHEMBL3154375 | 0.70 | CA12 (0.51) | ALDH1A1HPGDKMT2AMAPTCA12 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107205972-A | Substituted N- (2- (amino) -2-oxoethyl) benzamide inhibitors of autotaxin and their preparation and use in the treatment of LPA-dependent or LPA-mediated diseases | X-RX股份有限公司 | 2017-09-26 | — | — | CN | disclosed |