Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL8627671 | 0.91 | AVPR2 (0.37) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8630394 | 0.85 | ALDH1A1 (0.34) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8634457 | 0.85 | TP53 (0.34) | ALDH1A1TP53GAAMAPTMEN1 | |
| Iodide SCHEMBL8634375 | 0.82 | MAPT (0.37) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8628397 | 0.81 | IDO1 (0.33) | ALDH1A1LMNAMAPTRAB9APAX8 | |
| SCHEMBL8629470 | 0.80 | AVPR2 (0.50) | LMNATP53MAPT | |
| SCHEMBL8627674 | 0.77 | AVPR2 (0.38) | ALDH1A1LMNATP53GAAMAPT | |
| SCHEMBL8634049 | 0.75 | AVPR2 (0.42) | TP53GAAMAPTSMN1; SMN2 | |
| SCHEMBL8630395 | 0.75 | PDK1 (0.35) | ALDH1A1LMNATP53GAAMAPT | |
| Iodide SCHEMBL8634376 | 0.74 | KDM4E (0.38) | ALDH1A1LMNAMAPTRAB9APAX8 |
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-5753644-A | Vasopressin antagonist and oxytocin antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |