Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 6/20 | 0.35 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
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 SCHEMBL22557824 | 0.98 | HTT (0.39) | HTR1ATDP1CYP1A2HTTP2RY12 | |
| Hydrochloric Acid SCHEMBL22557794 | 0.98 | HTT (0.39) | HTR1ATDP1CYP1A2HTTP2RY12 | |
| SCHEMBL3790152 | 0.91 | — | — | |
| SCHEMBL10850124 | 0.83 | ALDH1A1 (0.43) | HTR1ATDP1CYP1A2PAOXKDM4E | |
| SCHEMBL9753243 | 0.83 | TDP1 (0.38) | HTR1ATDP1CYP1A2HTTPAOX | |
| SCHEMBL8429904 | 0.82 | P2RY12 (0.34) | TDP1CYP1A2P2RY12KDM4E | |
| SCHEMBL30335967 | 0.82 | — | — | |
| SCHEMBL761683 | 0.82 | P2RY12 (0.34) | TDP1CYP1A2P2RY12KDM4E | |
| Hydrochloric Acid SCHEMBL9615011 | 0.80 | P2RY12 (0.33) | CYP1A2P2RY12 | |
| SCHEMBL762068 | 0.80 | L3MBTL1 (0.35) | TDP1CYP1A2HTTP2RY12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023226965-A1 | ROCK INHIBITORS AND USES THEREOF | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2023-11-30 | — | — | WO | disclosed |
| EP-3956322-A1 | JAK1 SELECTIVE KINASE INHIBITOR | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2022-02-23 | — | — | EP | disclosed |
| WO-2020211839-A1 | JAK1 SELECTIVE KINASE INHIBITOR | DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) | 2020-10-22 | — | — | WO | disclosed |
| US-20040002465-A1 | Polyene macrolide derivatives, use for vectoring molecules | UNIVERSITE PIERRE ET MARIE CURIE (FR) | 2004-01-01 | — | — | US | disclosed |