Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3133771 | 0.79 | PLK1 (0.47) | NPC1RAB9AKDM4EALDH1A1GAA | |
| SCHEMBL3143289 | 0.76 | CA1 (0.46) | NPC1RAB9AKMT2AHSP90AA1SMN1; SMN2 | |
| SCHEMBL3143808 | 0.76 | HSD11B1 (0.35) | KDM4EALDH1A1HSD11B1HRH4 | |
| SCHEMBL606423 | 0.74 | HRH4 (0.68) | NPC1RAB9AKMT2AHSP90AA1SMN1; SMN2 | |
| SCHEMBL3143410 | 0.74 | HRH4 (0.47) | NPC1RAB9AKMT2AHSP90AA1SMN1; SMN2 | |
| SCHEMBL2167222 | 0.72 | HRH4 (0.57) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL4876581 | 0.70 | HRH4 (0.54) | NPC1RAB9AKDM4EALDH1A1MAPT | |
| SCHEMBL2512530 | 0.69 | CA1 (0.67) | NPC1RAB9AKMT2AHSP90AA1SMN1; SMN2 | |
| SCHEMBL12947624 | 0.69 | CA1 (0.47) | NPC1RAB9AKMT2AHSP90AA1SMN1; SMN2 | |
| SCHEMBL3142585 | 0.67 | ADORA1 (0.39) | NPC1RAB9AKMT2ASMN1; SMN2KDM4E |
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-8546410-B2 | Heteroaryl-fused macrocyclic pyrimidine derivatives | ABBVIE INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-01-07 | — | — | 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-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | CDK2, DPYD, CCNB1 | NPC1 166/4885RAB9A 1840/4885KMT2A 2254/4885 |
“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.