Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | METAP2 | P50579 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 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 | |
|---|---|---|---|---|
| SCHEMBL22004344 | 0.83 | KDM4E (0.41) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL22003760 | 0.78 | CYP2C9 (0.48) | ALDH1A1MAPTSMN1; SMN2HSD17B10KDM4E | |
| SCHEMBL22004370 | 0.75 | — | — | |
| SCHEMBL22004359 | 0.75 | HTR2C (0.42) | — | |
| SCHEMBL22004108 | 0.70 | CCNB2 (0.43) | ALDH1A1HSD17B10CYP2A6CCNB2CDK1 | |
| SCHEMBL9592630 | 0.64 | CYP11B1 (0.44) | RAB9AALDH1A1MAPTTDP1CYP2C9 | |
| SCHEMBL22005099 | 0.64 | ACLY (0.50) | RAB9ANPC1MAPTPKMCYP2C9 | |
| SCHEMBL31704940 | 0.60 | CYP1A2 (0.35) | RAB9AALDH1A1TDP1METAP2PIM1 | |
| SCHEMBL2062004 | 0.60 | KDM4E (0.67) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 | |
| Dipyridyl SCHEMBL6050743 | 0.60 | KDM4E (0.67) | RAB9ANPC1ALDH1A1MAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200157076-A1 | ACLY INHIBITORS AND USES THEREOF | NIMBUS DISCOVERY, INC. | 2020-05-21 | — | — | 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-20200157076-A1 | ACLY INHIBITORS AND USES THEREOF | ACLY, ATP5ME, ATP5MG | RAB9A 4051/4885NPC1 1013/4885ALDH1A1 1455/4885 |
“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.