Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.36 |
| ▸ | GABRP | O00591 | 2/20 | 0.35 |
| ▸ | GABRD | O14764 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12527639 | 0.79 | HTT (0.53) | HTTPARP1RAB9ACA2L3MBTL1 | |
| SCHEMBL17057367 | 0.77 | ALDH1A1 (0.43) | HTTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL12523417 | 0.77 | SMN1; SMN2 (0.35) | PARP1NPC1RAB9ASMN1; SMN2CA2 | |
| SCHEMBL19650822 | 0.76 | HRH3 (0.44) | PARP1NPC1RAB9ASMN1; SMN2CA2 | |
| SCHEMBL12524482 | 0.75 | PARP1 (0.46) | PARP1NPC1RAB9ASMN1; SMN2CA2 | |
| SCHEMBL26970086 | 0.75 | HTT (0.44) | HTTCA2KDM4E | |
| SCHEMBL4062783 | 0.75 | HTT (0.44) | HTTSMN1; SMN2CA2KDM4E | |
| SCHEMBL13765816 | 0.74 | HTT (0.44) | HTTRAB9ASMN1; SMN2CA2 | |
| SCHEMBL15331879 | 0.73 | HTT (0.42) | HTTCA2L3MBTL1 | |
| SCHEMBL830410 | 0.73 | KDM4E (0.38) | PARP1NPC1RAB9ASMN1; SMN2CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. (US) | 2013-01-17 | — | — | US | disclosed |
| US-20090176781-A1 | Acetylenic Heteroaryl Compounds | ARIAD PHARMACEUTICALS, INC. | 2009-07-09 | — | — | 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 (2 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-20090176781-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | HTT 810/4885PARP1 803/4885NPC1 183/4885 |
| US-20130018046-A1 | Acetylenic Heteroaryl Compounds | NAT1, AADAC, ACACA | HTT 810/4885PARP1 803/4885NPC1 183/4885 |
“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.