Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 5/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA4 | P22748 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 4/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4412980 | 0.95 | NPC1 (0.48) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL4412983 | 0.80 | NPC1 (0.46) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL4413488 | 0.79 | NPC1 (0.44) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL13521823 | 0.79 | NPC1 (0.62) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL1415893 | 0.76 | NPC1 (0.69) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL8058881 | 0.73 | KDM4E (0.46) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL8256252 | 0.73 | STAT3 (0.46) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL12221078 | 0.72 | ALDH1A1 (0.61) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL10305767 | 0.70 | NPC1 (0.77) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 | |
| SCHEMBL19158900 | 0.70 | NPC1 (0.56) | AKR1B10AKR1B1NPC1RXFP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20050106100-A1 | Compounds containing matrix metalloproteinase substrates and methods of their use | LANTHEUS MEDICAL IMAGING, INC. | 2005-05-19 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050106100-A1 | Compounds containing matrix metalloproteinase substrates and methods of their use | MMP1, MMP10, MMP8 | AKR1B10 1872/4885AKR1B1 1636/4885NPC1 1358/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.