Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10273820 | 0.86 | L3MBTL1 (0.50) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL1634810 | 0.85 | SMN1; SMN2 (0.56) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL1634808 | 0.85 | SMN1; SMN2 (0.56) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL3478958 | 0.80 | MAPT (0.53) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL19708735 | 0.74 | CA12 (0.55) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL8102985 | 0.74 | CA12 (0.59) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL633235 | 0.74 | CA12 (0.58) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL11206192 | 0.73 | NPSR1 (0.60) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL11206190 | 0.73 | NPSR1 (0.60) | CA12CA1MMP2ALDH1A1HTT | |
| SCHEMBL18838552 | 0.73 | SMN1; SMN2 (0.70) | CA12CA1MMP2ALDH1A1HTT |
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 |