Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | BMP1 | P13497 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7712951 | 1.00 | MAOA (0.42) | MAOAMAOBESR1ESR2ALDH1A1 | |
| SCHEMBL16798238 | 0.85 | PTPRB (0.50) | MAOAMAOBESR1ESR2ALDH1A1 | |
| SCHEMBL23030411 | 0.84 | MAOA (0.42) | MAOAMAOBESR1ESR2ALDH1A1 | |
| SCHEMBL16059778 | 0.83 | ALDH1A1 (0.53) | MAOAMAOBALDH1A1DPP4LCK | |
| SCHEMBL6706478 | 0.83 | ALDH1A1 (0.53) | MAOAMAOBALDH1A1DPP4LCK | |
| SCHEMBL16060230 | 0.83 | ALDH1A1 (0.53) | MAOAMAOBALDH1A1DPP4LCK | |
| SCHEMBL7706678 | 0.81 | KDM6B (0.46) | MAOAMAOBALDH1A1DPP4KDM6B | |
| SCHEMBL7707907 | 0.81 | KDM6B (0.46) | MAOAMAOBALDH1A1DPP4KDM6B | |
| SCHEMBL180105 | 0.81 | NOS2 (0.52) | ESR1ESR2TSHR | |
| SCHEMBL180106 | 0.81 | NOS2 (0.52) | ESR1ESR2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6610730-B2 | Viricides; protease inbhibitor | AGOURON PHARMACEUTICALS, INC. | 2003-08-26 | — | — | US | disclosed |
| US-6610730-B2 | Viricides; protease inbhibitor | AGOURON PHARMACEUTICALS, INC. | 2003-08-26 | — | — | US | disclosed |