Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28204297 | 0.78 | CA1 (0.41) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL9811730 | 0.76 | CCNB2 (0.37) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL23812140 | 0.76 | CA12 (0.37) | CA12CA14CA2CYP1A2TDP1 | |
| SCHEMBL1845681 | 0.74 | HTT (0.41) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL523837 | 0.71 | CA2 (0.59) | CA12CA14CA2TDP1DGAT1 | |
| SCHEMBL27544279 | 0.70 | TDP1 (0.39) | CA12CA14CA2HTTTDP1 | |
| SCHEMBL22749739 | 0.69 | HTT (0.55) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL22749741 | 0.69 | HTT (0.55) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL22749773 | 0.69 | HTT (0.55) | CA12CA14CA2HTTCYP1A2 | |
| SCHEMBL21797980 | 0.69 | DGAT1 (0.45) | CA12CA14CA2HTTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012040242-A1 | SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-03-29 | — | — | WO | disclosed |