Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 5/20 | 0.43 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.38 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL30007741 | 0.81 | CA12 (0.44) | HRH4HRH3TACR3 | |
| Hydrochloric Acid SCHEMBL30008041 | 0.78 | CDK5 (0.44) | — | |
| SCHEMBL30008202 | 0.71 | KMT2A (0.47) | NPC1RAB9AKMT2ALMNA | |
| SCHEMBL30007804 | 0.70 | ALDH1A1 (0.46) | ALDH1A1MAP3K11 | |
| SCHEMBL857607 | 0.67 | RIPK1 (0.61) | SYK | |
| SCHEMBL603454 | 0.67 | HRH4 (1.00) | HRH4NPC1RAB9AKMT2AHRH3 | |
| Hydrochloric Acid SCHEMBL30007950 | 0.66 | ATR (0.41) | — | |
| SCHEMBL30007560 | 0.66 | CA12 (0.43) | ALDH1A1KMT2ATACR3LMNA | |
| SCHEMBL612331 | 0.65 | AKR1C3 (0.78) | HRH4NPC1RAB9AKMT2AHRH3 | |
| SCHEMBL16598621 | 0.64 | HRH4 (0.75) | HRH4NPC1RAB9AKMT2AHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022237922-A1 | ANTITUMOR COMPOUNDS BASED ON NITROGEN HETEROCYCLES AND USE THEREOF AS MEDICAMENTS | FAKULTNI NEMOCNICE HRADEC KRALOVE (CZ) | 2022-11-17 | — | — | WO | disclosed |