Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8634668 | 0.92 | AVPR2 (0.51) | AVPR2KMT2ACASP3CASP7TP53 | |
| SCHEMBL8629507 | 0.89 | KCNMA1 (0.36) | POLBKMT2ACASP3CASP7TP53 | |
| SCHEMBL8627190 | 0.89 | AVPR2 (0.42) | AVPR2POLBKMT2ASCN5ASCN9A | |
| SCHEMBL8634053 | 0.87 | AVPR2 (0.41) | AVPR2POLBKMT2ACASP3CASP7 | |
| SCHEMBL8630766 | 0.83 | AVPR2 (0.41) | AVPR2POLBKMT2ASCN5ASCN9A | |
| SCHEMBL8627187 | 0.82 | AVPR2 (0.40) | AVPR2POLBKMT2ASCN5ASCN9A | |
| SCHEMBL8630680 | 0.82 | AVPR2 (0.38) | AVPR2KMT2ACASP3CASP7TP53 | |
| SCHEMBL4686344 | 0.80 | AVPR2 (0.41) | AVPR2CASP3CASP7SCN5ASCN9A | |
| SCHEMBL8633374 | 0.80 | AVPR2 (0.52) | AVPR2KMT2ATP53ALDH1A1MAPT | |
| SCHEMBL8630164 | 0.80 | TSHR (0.38) | POLBKMT2ATP53ALDH1A1TSHR |
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 |