Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8869251 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL9225777 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL13489685 | 0.92 | HSD17B10 (0.43) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL4700130 | 0.87 | TP53 (0.38) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL8869476 | 0.87 | TP53 (0.38) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL15762010 | 0.87 | HSD17B10 (0.40) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL5960981 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL7222255 | 0.81 | ALDH1A1 (0.59) | ALDH1A1TP53HTTKMT2ATSHR | |
| SCHEMBL21048449 | 0.81 | KMT2A (0.52) | ALDH1A1TP53KMT2ATSHRHSD17B10 | |
| SCHEMBL16829024 | 0.81 | KMT2A (0.52) | ALDH1A1TP53KMT2ATSHRHSD17B10 |
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-5665746-A | BACTERICIDE | HOFFMANN-LA ROCHE INC. (US) | 1997-09-09 | — | — | US | disclosed |
| US-5594135-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1997-01-14 | — | — | US | disclosed |
| US-5589473-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1996-12-31 | — | — | US | disclosed |
| EP-0675122-A2 | Mono or bicyclic DNA gyrase inhibitors | F. HOFFMANN-LA ROCHE AG (CH) | 1995-10-04 | — | — | EP | disclosed |