Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 4/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | PKM | P14618 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.52 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL6317352 | 1.00 | MCL1 (0.64) | MCL1NPC1GAAALDH1A1PKM | |
| SCHEMBL8579115 | 0.90 | NPC1 (0.55) | MCL1NPC1GAAALDH1A1PKM | |
| SCHEMBL2263721 | 0.83 | MCL1 (0.62) | MCL1GAAALDH1A1CA12CA1 | |
| SCHEMBL2261867 | 0.82 | ALDH1A1 (0.68) | MCL1NPC1ALDH1A1POLBHPGD | |
| SCHEMBL2263200 | 0.82 | MCL1 (0.70) | MCL1NPC1ALDH1A1RAB9APOLB | |
| SCHEMBL2268566 | 0.82 | MCL1 (0.70) | MCL1ALDH1A1POLBCA12CA1 | |
| SCHEMBL2263988 | 0.82 | MCL1 (0.74) | MCL1NPC1GAAALDH1A1POLB | |
| SCHEMBL2265136 | 0.81 | MCL1 (0.59) | MCL1CA12CA1CA2SMN1; SMN2 | |
| SCHEMBL3437003 | 0.81 | ALDH1A1 (0.66) | MCL1ALDH1A1POLBTSHRMEN1 | |
| SCHEMBL2263108 | 0.81 | MCL1 (0.59) | MCL1NPC1ALDH1A1PKMRAB9A |
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-20030181420-A1 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | EXELIXIS, INC. | 2003-09-25 | — | — | 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-20030181420-A1 | Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors | NR1H2, NR1H3, NCOA1 | MCL1 3083/4885NPC1 615/4885GAA 3969/4885 |
“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.