Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP7 | P09237 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26820254 | 0.91 | MMP1 (0.38) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL22815228 | 0.89 | MMP1 (0.42) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL25162219 | 0.86 | MMP1 (0.40) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL13531452 | 0.82 | IDH1 (0.50) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL21419450 | 0.82 | MMP1 (0.39) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL21419451 | 0.80 | MMP1 (0.39) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL26819048 | 0.78 | PPARA (0.34) | TMEM97SIGMAR1LMNAALDH1A1KMT2A | |
| SCHEMBL24636658 | 0.78 | IDH1 (0.43) | MMP1MMP3MMP7MMP9MMP8 | |
| Hydrochloric Acid SCHEMBL21404876 | 0.76 | MMP1 (0.36) | MMP1MMP3MMP7MMP9MMP8 | |
| SCHEMBL22821674 | 0.76 | MMP1 (0.32) | MMP1MMP3MMP7MMP9MMP8 |
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-2022066650-A1 | RADIOLABELED LIGANDS FOR TARGETED PET/SPECT IMAGING AND METHODS OF THEIR USE | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2022-03-31 | — | — | WO | disclosed |