Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | USP7 | Q93009 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21153244 | 0.89 | NPC1 (0.43) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL19968732 | 0.87 | NPC1 (0.48) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21152962 | 0.85 | S1PR1 (0.47) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL19952957 | 0.85 | S1PR1 (0.50) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL35210442 | 0.85 | S1PR1 (0.50) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21152963 | 0.84 | S1PR1 (0.49) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL19166246 | 0.83 | CHEK1 (0.43) | GPR119 | |
| SCHEMBL21153220 | 0.81 | USP7 (0.57) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21153219 | 0.81 | S1PR1 (0.43) | NPC1S1PR1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL21051305 | 0.81 | ACACB (0.42) | — |
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-20210340116-A1 | COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2021-11-04 | — | — | 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-20210340116-A1 | COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION | VNN1, NGLY1, NUCB2 | NPC1 1749/4885S1PR1 3916/4885RAB9A 4715/4885 |
“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.