Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | MYC | P01106 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | PTP4A3 | O75365 | 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 | |
|---|---|---|---|---|
| SCHEMBL3598559 | 0.86 | SLC6A3 (0.42) | KDM4EALDH1A1TSHRHPGDMEN1 | |
| SCHEMBL4164810 | 0.82 | KDM4E (0.50) | KDM4EPOLBALDH1A1RAB9AUSP2 | |
| SCHEMBL3607514 | 0.79 | IDO1 (0.36) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL29649714 | 0.74 | BRS3 (0.39) | KDM4EPOLBRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3607451 | 0.74 | ESR1 (0.41) | KDM4EALDH1A1ESR1 | |
| SCHEMBL3606907 | 0.74 | HDAC1 (0.44) | KDM4EALDH1A1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL3596652 | 0.74 | NOTUM (0.42) | KDM4EALDH1A1HPGDGAADHODH | |
| SCHEMBL12496562 | 0.74 | HSD17B1 (0.35) | ESR1PTP4A3 | |
| SCHEMBL3604612 | 0.73 | NPSR1 (0.42) | KDM4EPOLBALDH1A1RAB9AUSP2 | |
| SCHEMBL3603427 | 0.72 | MCL1 (0.41) | KDM4EALDH1A1HPGDMEN1GAA |
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-8835476-B2 | Synthesis of novel antimicrobials | WU FAN (CA) | 2014-09-16 | — | — | US | disclosed |
| US-20100076028-A1 | Design and Synthesis of Novel Antimicrobials | WU FAN | 2010-03-25 | — | — | US | disclosed |
| US-20100048636-A1 | Aspartic Protease Inhibitors | VITAE PHARMACEUTICALS, INC. | 2010-02-25 | — | — | US | disclosed |
| WO-2006092059-A1 | DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS | WU FAN (CA) | 2006-09-08 | — | — | 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 (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-20100048636-A1 | Aspartic Protease Inhibitors | DNPEP, PEPD, SERPINB1 | KDM4E 2286/4885POLB 3415/4885ALDH1A1 1416/4885 |
| US-20100076028-A1 | Design and Synthesis of Novel Antimicrobials | MLX, LPXN, TPX2 | KDM4E 4236/4885POLB 1277/4885ALDH1A1 4295/4885 |
“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.