Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | SLC6A4 | P31645 | 14/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 11/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 11/20 | 0.47 |
| ▸ | QSOX1 | O00391 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL13409766 | 0.92 | NPC1 (0.53) | NPC1RAB9ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3363454 | 0.92 | NPC1 (0.53) | NPC1RAB9ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL7743128 | 0.89 | NPC1 (0.45) | NPC1RAB9ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL20480797 | 0.83 | SLC6A4 (0.61) | NPC1RAB9ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3362667 | 0.83 | SLC6A4 (0.69) | NPC1RAB9ASLC6A4SLC6A2SLC6A3 | |
| SCHEMBL6942836 | 0.82 | SLC6A4 (0.55) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3366301 | 0.80 | SLC6A4 (0.56) | SLC6A4SLC6A2SLC6A3MEN1ADRA2A | |
| SCHEMBL6249261 | 0.78 | SLC6A4 (0.69) | SLC6A4SLC6A2SLC6A3QSOX1 | |
| SCHEMBL3362492 | 0.78 | SLC6A4 (0.54) | SLC6A4SLC6A2SLC6A3QSOX1 | |
| SCHEMBL3364462 | 0.78 | SLC6A4 (0.61) | SLC6A4SLC6A2SLC6A3QSOX1 |
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-20100009970-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2010-01-14 | — | — | 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-20100009970-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES | HTR1A, HTR3B, HTR3A | NPC1 2020/4885RAB9A 4036/4885SLC6A4 34/4885 |
“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.