Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA2 | P42262 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565882 | 1.00 | GRIA2 (0.42) | GRIA2TSHRNPC1RAB9AAKR1C3 | |
| SCHEMBL13565209 | 0.97 | AKR1C3 (0.42) | GRIA2TSHRNPC1RAB9AAKR1C3 | |
| SCHEMBL17090407 | 0.97 | AKR1C3 (0.42) | GRIA2TSHRNPC1RAB9AAKR1C3 | |
| SCHEMBL13565101 | 0.85 | TSHR (0.42) | TSHRNPC1RAB9AAKR1C3PKM | |
| SCHEMBL11936199 | 0.85 | TSHR (0.42) | TSHRNPC1RAB9AAKR1C3PKM | |
| SCHEMBL13565425 | 0.84 | ALDH1A1 (0.41) | TSHRNPC1RAB9AALDH1A1LMNA | |
| SCHEMBL13564874 | 0.83 | NPY5R (0.36) | GRIA2TSHRALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL17090020 | 0.83 | NPY5R (0.36) | GRIA2TSHRALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL11935083 | 0.83 | ALDH1A1 (0.42) | TSHRNPC1RAB9AALDH1A1LMNA | |
| SCHEMBL13565157 | 0.82 | AKR1C3 (0.42) | TSHRNPC1RAB9AAKR1C3PKM |
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 |