Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.51 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6929631 | 0.84 | NPC1 (0.63) | NPC1RAB9AMAOASMN1; SMN2CASP3 | |
| SCHEMBL28564954 | 0.82 | NPC1 (0.64) | NPC1RAB9AMAOASMN1; SMN2CASP3 | |
| SCHEMBL29956120 | 0.82 | NPC1 (0.60) | NPC1RAB9AMAOASMN1; SMN2CASP3 | |
| SCHEMBL3041603 | 0.81 | NPC1 (0.58) | NPC1RAB9AMAOASMN1; SMN2CASP3 | |
| SCHEMBL5213739 | 0.79 | NPC1 (0.60) | NPC1RAB9AMAOASMN1; SMN2L3MBTL1 | |
| SCHEMBL5853278 | 0.79 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2CASP3L3MBTL1 | |
| SCHEMBL5220382 | 0.78 | NPC1 (0.58) | NPC1RAB9AMAOASMN1; SMN2L3MBTL1 | |
| SCHEMBL4912455 | 0.78 | NPC1 (0.52) | NPC1RAB9AMAOASMN1; SMN2CASP3 | |
| SCHEMBL30522295 | 0.77 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2CASP3LMNA | |
| SCHEMBL16193532 | 0.77 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2CASP3LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6514997-B2 | Block the activity of picornaviral 3C protease | AGOURON PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| EP-1252145-A1 | ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2002-10-30 | — | — | EP | disclosed |
| US-20010047006-A1 | Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2001-11-29 | — | — | US | disclosed |
| WO-2001040189-A1 | ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS | AGOURON PHARMACEUTICALS, INC. (US) | 2001-06-07 | — | — | WO | 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-20010047006-A1 | Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis | RNASE1, SERPINB1, RNASEH1 | NPC1 420/4885RAB9A 2911/4885MAOA 2979/4885 |
“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.