Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ACACB | O00763 | 3/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.37 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13565861 | 1.00 | ALDH1A1 (0.38) | ALDH1A1GAAKDM4EMAPTMAPK1 | |
| SCHEMBL13565055 | 0.88 | NPC1 (0.42) | ALDH1A1GAAKDM4EMAPTMAPK1 | |
| SCHEMBL13565048 | 0.88 | ACHE (0.46) | ALDH1A1GAAMAPTCNR1CNR2 | |
| SCHEMBL17090149 | 0.88 | ACHE (0.46) | ALDH1A1GAAMAPTCNR1CNR2 | |
| SCHEMBL17090369 | 0.86 | ACACA (0.41) | ACACBGRIA2 | |
| SCHEMBL13565998 | 0.86 | ACACA (0.41) | ACACBGRIA2 | |
| SCHEMBL13565441 | 0.86 | RAB9A (0.45) | ALDH1A1KDM4EMAPTMAPK1ACACB | |
| SCHEMBL17090200 | 0.86 | RAB9A (0.45) | ALDH1A1KDM4EMAPTMAPK1ACACB | |
| SCHEMBL11935363 | 0.85 | ALDH1A1 (0.38) | ALDH1A1ACACBGRIA2CNR1CNR2 | |
| SCHEMBL11935090 | 0.85 | ACHE (0.41) | ALDH1A1MAPTLMNACNR1CNR2 |
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 |