Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | UBE2M | P61081 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9206800 | 0.95 | DRD2 (0.41) | DRD2KCNH2KDM4EALDH1A1MAPT | |
| SCHEMBL9213558 | 0.86 | ACHE (0.42) | ALDH1A1MAPTMCHR1CACNA1ITDP1 | |
| Hydrochloric Acid SCHEMBL9213433 | 0.84 | ACHE (0.41) | ALDH1A1MAPTMCHR1CACNA1ITDP1 | |
| Hydrochloric Acid SCHEMBL9204880 | 0.78 | CCR2 (0.38) | KCNH2KDM4ECHRNB2CHRNA4MEN1 | |
| SCHEMBL9215978 | 0.77 | PDE5A (0.39) | — | |
| SCHEMBL9214121 | 0.77 | CHRNB2 (0.46) | KDM4EALDH1A1MAPTCHRNB2CHRNA4 | |
| SCHEMBL9739331 | 0.76 | MEN1 (0.47) | KCNH2KDM4EALDH1A1MEN1LMNA | |
| Hydrochloric Acid SCHEMBL9213791 | 0.75 | ACHE (0.37) | — | |
| SCHEMBL9214611 | 0.74 | PTGER2 (0.48) | KDM4E | |
| SCHEMBL23291215 | 0.74 | CHRNB2 (0.56) | KDM4EALDH1A1MAPTCHRNB2CHRNA4 |
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-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |