Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CTPS1 | P17812 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 7/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10113608 | 0.86 | POLB (0.53) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL13565512 | 0.84 | NPY5R (0.55) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL13564790 | 0.83 | NPY5R (0.47) | NPY5R | |
| SCHEMBL11935018 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL13565744 | 0.78 | NPY5R (0.48) | RAB9ANPC1NPY5R | |
| SCHEMBL21044199 | 0.72 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL10113884 | 0.71 | POLB (0.53) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL6878797 | 0.71 | ALDH1A1 (0.62) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL13203857 | 0.70 | MEN1 (0.48) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 | |
| SCHEMBL10113322 | 0.70 | MEN1 (0.48) | ALDH1A1SMN1; SMN2RAB9ANPC1TP53 |
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-9139518-B2 | Amine derivative having NPY Y5 receptor antagonistic activity | SHIONOGI & CO., LTD. (JP) | 2015-09-22 | — | — | US | disclosed |