Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.50 |
| ▸ | FPR2 | P25090 | 2/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MMP3 | P08254 | 3/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL28774738 | 0.86 | TAS1R3 (0.51) | TAS1R3TAS1R1MMP9MMP13L3MBTL1 | |
| SCHEMBL4742717 | 0.86 | MMP9 (0.57) | TAS1R3TAS1R1FPR2MMP9MMP13 | |
| SCHEMBL11202170 | 0.83 | PLAU (0.44) | FPR2L3MBTL1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL29432860 | 0.83 | ALDH1A1 (0.52) | CNR2ALDH1A1KMT2ASMN1; SMN2HDAC3 | |
| SCHEMBL859719 | 0.83 | ALDH1A1 (0.52) | CNR2ALDH1A1KMT2ASMN1; SMN2HDAC3 | |
| SCHEMBL11205359 | 0.82 | MMP2 (0.48) | FPR2MMP9MMP3MMP2ALDH1A1 | |
| SCHEMBL9004065 | 0.82 | CA2 (0.49) | ALDH1A1KMT2ASMN1; SMN2MEN1MAPT | |
| SCHEMBL28946714 | 0.81 | FPR2 (0.51) | FPR2L3MBTL1ALDH1A1KMT2APKM | |
| SCHEMBL28946713 | 0.81 | FPR2 (0.51) | FPR2L3MBTL1ALDH1A1KMT2APKM | |
| SCHEMBL28416132 | 0.81 | MMP9 (0.47) | TAS1R3TAS1R1MMP9MMP13L3MBTL1 |
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-2007062316-A2 | TRANS-3,5-DISUBSTITUTEDPYRROLIDINE: ORGANOCATALYST FOR ANTI-MANNICH REACTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2007-05-31 | — | — | WO | disclosed |