Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 2/20 | 1.00 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 5/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | GSK3B | P49841 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL12978870 | 1.00 | ALDH1A1 (1.00) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL7476495 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL2196627 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL14007054 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL13992611 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL2196629 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL7476500 | 0.81 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL3516805 | 0.79 | ALDH1A1 (1.00) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL2984666 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KDM4EKMT2AGAARAB9A | |
| SCHEMBL2984669 | 0.77 | ALDH1A1 (0.62) | ALDH1A1KDM4EKMT2AGAARAB9A |
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-8703805-B2 | Modulators of LXR | EXELIXIS PATENT COMPANY LLC (US) | 2014-04-22 | — | — | US | disclosed |
| US-20100331295-A1 | MODULATORS OF LXR | EXELIXIS, INC. (US) | 2010-12-30 | — | — | US | disclosed |
| US-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-10-16 | — | — | 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-20080255120-A1 | SUBSTITUTED 2,5-HETEROCYCLIC DERIVATIVES | CYP3A5, ABCG2, ABCB1 | ALDH1A1 297/4885KDM4E 2840/4885KMT2A 4030/4885 |
| US-20100331295-A1 | MODULATORS OF LXR | NR1H2, NR1H3, NR1H4 | ALDH1A1 1487/4885KDM4E 1934/4885KMT2A 2663/4885 |
“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.