Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | PGR | P06401 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | PTPRC | P08575 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL936227 | 0.93 | LMNA (0.57) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL29526232 | 0.89 | TSHR (0.67) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL2009026 | 0.89 | TSHR (0.67) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL30469335 | 0.87 | TSHR (0.64) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| Iodide SCHEMBL27148619 | 0.87 | TSHR (0.64) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL7838339 | 0.87 | LMNA (0.64) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL6804031 | 0.87 | TSHR (0.64) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| Formaldehyde SCHEMBL28138818 | 0.85 | TSHR (0.61) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| Dinitrophenylene SCHEMBL27704073 | 0.83 | TSHR (0.77) | NPC1ALDH1A1RAB9AMAPTSMN1; SMN2 | |
| Nitrobenzene SCHEMBL16968450 | 0.83 | ALDH1A1 (0.73) | ALDH1A1LMNATSHRNFE2L2TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011009934-A1 | TRIS(1,2,3-TRIAZOL-4-YL)METHANE ORGANOMETALLIC COMPOUNDS AS CATALYSTS AND PROCESSES USING THEM. | INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ICIQ) (ES) | 2011-01-27 | — | — | WO | disclosed |
| US-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | INSTITUT CATALA D'INVESTIGACIO QUIMICA (ES) | 2009-03-12 | — | — | 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-20090069569-A1 | CYCLOADDITION OF AZIDES AND ALKYNES | PF4, AFF4, FLI1 | NPC1 3576/4885ALDH1A1 540/4885RAB9A 4743/4885 |
“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.