Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.52 |
| ▸ | HTR3B | O95264 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3380253 | 0.88 | POLB (0.67) | ALDH1A1ATMGFERPOLBGPR84 | |
| Piperazine SCHEMBL7073764 | 0.84 | HTR3E (0.65) | ALDH1A1ATMHTR3EHTR3BHTR3A | |
| SCHEMBL1144650 | 0.83 | GFER (0.68) | ALDH1A1ATMHTR3EHTR3BHTR3A | |
| SCHEMBL3994500 | 0.81 | POLB (0.77) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Piperidine SCHEMBL8707735 | 0.80 | HTR3E (0.60) | ALDH1A1ATMHTR3EHTR3BHTR3A | |
| Hydrazine SCHEMBL27559974 | 0.79 | ALDH1A1 (0.72) | ALDH1A1ATMGPR84KDM4EGABRA1 | |
| SCHEMBL64182 | 0.79 | GPR84 (0.77) | ALDH1A1ATMGPR84KDM4EGABRA1 | |
| SCHEMBL3449612 | 0.77 | HTR3E (0.51) | ALDH1A1ATMHTR3EHTR3BHTR3A | |
| SCHEMBL29272694 | 0.77 | GPR84 (0.74) | ALDH1A1ATMGPR84KDM4EGABRA1 | |
| Hydrochloric Acid SCHEMBL29435427 | 0.77 | GPR84 (0.74) | ALDH1A1ATMGPR84KDM4EGABRA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922042-A1 | NOVEL PIPERAZINE CONTAINING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-06-16 | — | — | EP | disclosed |
| WO-1998006715-A1 | NOVEL PIPERAZINE CONTAINING COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-02-19 | — | — | WO | disclosed |