Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | PYGL | P06737 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | TMPRSS15 | P98073 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8188600 | 1.00 | TSHR (0.37) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL14263864 | 0.83 | TSHR (0.44) | TSHRLMNATDP1MMP13MMP1 | |
| SCHEMBL6436779 | 0.83 | TSHR (0.44) | TSHRLMNATDP1MMP13MMP1 | |
| SCHEMBL6436784 | 0.83 | TSHR (0.44) | TSHRLMNATDP1MMP13MMP1 | |
| SCHEMBL733205 | 0.83 | CASP1 (0.38) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL1244162 | 0.83 | CASP1 (0.38) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| Hydrochloric Acid SCHEMBL27509412 | 0.82 | TSHR (0.43) | TSHRLMNATDP1MMP13MMP1 | |
| SCHEMBL731388 | 0.81 | CASP1 (0.36) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL1244172 | 0.81 | CASP1 (0.36) | TSHRLMNACYP3A4NFKB1ADRA1A | |
| SCHEMBL733596 | 0.81 | CASP1 (0.39) | TSHRLMNACYP3A4NFKB1ADRA1A |
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-2008070358-A2 | N-CYCLOPROPYL-HYDROXYPROLINE-BASED TRIPEPTIDIC HEPATITIS C SERINE PROTEASE INHIBITORS CONTAINING AN ISOINDOLE, PYRROLOPYRIDINE, PYRROLOPYRIMIDINE OR PYRROLOPYRAZINE HETEROCYCLE IN THE SIDE CHAIN | PHENOMIX CORPORATION (US) | 2008-06-12 | — | — | WO | disclosed |