Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Iodide SCHEMBL8634378 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL8628399 | 0.86 | ALDH1A1 (0.37) | ALDH1A1KDM4ELMNACYP19A1MAPT | |
| SCHEMBL4682375 | 0.82 | ALDH1A1 (0.38) | ALDH1A1KDM4ELMNACYP19A1MAPT | |
| SCHEMBL8630395 | 0.81 | PDK1 (0.35) | ALDH1A1LMNAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8628984 | 0.74 | AVPR2 (0.46) | HTR7PDK1PDK2PDK3PDK4 | |
| SCHEMBL8627677 | 0.73 | AVPR2 (0.38) | ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1 | |
| Iodide SCHEMBL8634376 | 0.72 | KDM4E (0.38) | ALDH1A1KDM4ELMNAMAPTSMN1; SMN2 | |
| SCHEMBL8627401 | 0.71 | AVPR2 (0.39) | ALDH1A1LMNAMAPTSMN1; SMN2MEN1 | |
| SCHEMBL8628397 | 0.70 | IDO1 (0.33) | ALDH1A1LMNACYP19A1MAPTSMN1; SMN2 | |
| SCHEMBL8632568 | 0.70 | AVPR2 (0.43) | LMNA |
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 |