Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 4/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17452605 | 0.86 | IDH1 (0.33) | NPC1RAB9ASMN1; SMN2GAAIDH1 | |
| SCHEMBL20229585 | 0.81 | SMN1; SMN2 (0.33) | SMN1; SMN2GAAMEN1MAPTHTT | |
| SCHEMBL13845545 | 0.71 | CDK2 (0.47) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL23815871 | 0.70 | GAA (0.43) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL16047133 | 0.63 | ALDH1A1 (0.61) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL13567165 | 0.63 | HRH3 (0.39) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL17454403 | 0.62 | ALDH1A1 (0.40) | CHRM4RXFP1ALDH1A1TDP1HRH3 | |
| SCHEMBL17454473 | 0.62 | RXFP1 (0.54) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL12791571 | 0.61 | HRH3 (0.38) | NPC1RAB9ASMN1; SMN2GAAMEN1 | |
| SCHEMBL12101006 | 0.61 | RXFP1 (0.38) | NPC1RAB9ASMN1; SMN2GAALMNA |
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-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY | 2016-01-21 | — | — | 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-20160016914-A1 | SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK | ROCK1, MYLK, ROCK2 | NPC1 2709/4885RAB9A 564/4885SMN1; SMN2 1146/4885 |
“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.