Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | RELA | Q04206 | 1/20 | 0.31 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL911476 | 0.82 | CYP3A4 (0.39) | LTA4HRELAKCNN4ALDH1A1TP53 | |
| SCHEMBL28018587 | 0.80 | CYP3A4 (0.38) | LTA4HRELAKCNN4ALDH1A1TP53 | |
| SCHEMBL10792824 | 0.76 | CYP3A4 (0.35) | LTA4HRELAKCNN4TP53CYP3A4 | |
| SCHEMBL11209353 | 0.76 | CYP3A4 (0.35) | LTA4HSMN1; SMN2RELAKCNN4TP53 | |
| SCHEMBL8939051 | 0.73 | LTA4H (0.39) | LTA4HLMNARELACYP3A4TDP1 | |
| SCHEMBL11209432 | 0.70 | LTA4H (0.43) | LTA4HALDH1A1TP53CYP3A4TDP1 | |
| SCHEMBL8939035 | 0.69 | SCN4A (0.37) | HPGDSMN1; SMN2LMNAHTTCYP3A4 | |
| SCHEMBL196443 | 0.69 | CYP3A4 (0.39) | LTA4HRELAKCNN4ALDH1A1TP53 | |
| SCHEMBL8939014 | 0.68 | ACHE (0.42) | HPGDLMNAHTTALDH1A1TP53 | |
| SCHEMBL8939054 | 0.68 | MAPT (0.38) | LMNAHTTKDM4EALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101977915-B | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2014-08-13 | — | — | CN | disclosed |
| CN-101977915-A | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2011-02-16 | — | — | CN | disclosed |