Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.33 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL6005484 | 0.81 | SCN2A (0.53) | ALDH1A1RAB9ASCN2ANR1H3NR1H2 | |
| SCHEMBL6005753 | 0.80 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2SCN2A | |
| SCHEMBL5644517 | 0.79 | TYMS (0.42) | SCN2ARECQLPDCD1CD274NR1H3 | |
| SCHEMBL5642923 | 0.79 | MEN1 (0.37) | ALDH1A1NPC1RAB9ASMN1; SMN2MEN1 | |
| SCHEMBL6005958 | 0.73 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2RECQL | |
| SCHEMBL7451753 | 0.69 | NPC1 (0.49) | ALDH1A1NPC1RAB9ASMN1; SMN2SCN2A | |
| SCHEMBL6393571 | 0.68 | MEN1 (0.40) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL22546608 | 0.65 | CA12 (0.37) | ALDH1A1RAB9ANPSR1GAATSHR | |
| SCHEMBL9569532 | 0.64 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2MEN1KMT2AHTT | |
| SCHEMBL9781271 | 0.64 | PPOX (0.58) | ALDH1A1NPSR1GAATSHR |
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-7163939-B2 | Macrocyclic kinase inhibitors | ABBOTT LABORATORIES (US) | 2007-01-16 | — | — | US | disclosed |
| EP-1682555-A1 | MACROCYCLIC KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2006-07-26 | — | — | EP | disclosed |
| US-20050215556-A1 | Macrocyclic kinase inhibitors | ABBVIE INC. | 2005-09-29 | — | — | US | disclosed |
| WO-2005047294-A1 | MACROCYCLIC KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2005-05-26 | — | — | 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-20050215556-A1 | Macrocyclic kinase inhibitors | MAP3K20, MAP3K19, MAP3K7 | ALDH1A1 4408/4885NPC1 2395/4885RAB9A 2377/4885 |
“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.