Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HTT | P42858 | 4/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12067844 | 0.83 | MAPT (0.47) | ALDH1A1HTTALOX12LMNAMAPT | |
| SCHEMBL12069186 | 0.82 | ALDH1A1 (0.52) | ALDH1A1HTTALOX12LMNAMAPT | |
| SCHEMBL12069953 | 0.72 | ALDH1A1 (0.54) | EPHX1ALDH1A1ALOX12LMNAMAPT | |
| SCHEMBL11106469 | 0.71 | EPHX1 (1.00) | EPHX1ALDH1A1HTTALOX12LMNA | |
| SCHEMBL6252549 | 0.70 | HPGD (0.85) | EPHX1HTTSMN1; SMN2HDAC3HPGD | |
| SCHEMBL8611290 | 0.69 | EPHX1 (0.97) | EPHX1ALDH1A1HTTALOX12LMNA | |
| SCHEMBL14859655 | 0.68 | RAB9A (0.78) | EPHX1ALDH1A1HTTALOX12LMNA | |
| SCHEMBL13754242 | 0.67 | HPGD (0.66) | ALDH1A1HTTLMNAMAPTSMN1; SMN2 | |
| SCHEMBL13188232 | 0.66 | HDAC8 (0.71) | HTTSMN1; SMN2HDAC3HPGDTSHR | |
| SCHEMBL5434681 | 0.66 | PARP10 (0.61) | EPHX1ALDH1A1HTTALOX12LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011159137-A2 | NOVEL THIOUREA OR UREA DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING AIDS, CONTAINING SAME AS ACTIVE INGREDIENT | (주)에빅스젠 (KR) | 2011-12-22 | — | — | WO | disclosed |