Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ACACB | O00763 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7849518 | 0.99 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAANPSR1ATM | |
| Hydrochloric Acid SCHEMBL7838260 | 0.92 | HRH3 (0.50) | HRH3ACHEBCHEMAOAMAOB | |
| Hydrochloric Acid SCHEMBL7849464 | 0.89 | HRH3 (0.47) | ALDH1A1KDM4EATMTDP1HRH3 | |
| Hydrochloric Acid SCHEMBL7847077 | 0.89 | ACHE (0.47) | HRH3ACHEBCHEMAOAMAOB | |
| SCHEMBL7846276 | 0.87 | HRH3 (0.47) | ALDH1A1KDM4EHRH3POLBACACB | |
| SCHEMBL7837933 | 0.85 | HRH3 (0.48) | HRH3ACHEBCHEMAOAMAOB | |
| Hydrochloric Acid SCHEMBL7850382 | 0.84 | CXCR4 (0.48) | ALDH1A1ATMHRH3ACHEBCHE | |
| Hydrochloric Acid SCHEMBL7854120 | 0.83 | HRH3 (0.46) | HRH3ACHEBCHEMAOAMAOB | |
| SCHEMBL7850551 | 0.83 | HRH3 (0.47) | HRH3ACHEBCHEMAOAMAOB | |
| Hydrochloric Acid SCHEMBL7850453 | 0.83 | HRH3 (0.47) | HRH3ACHEBCHEMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | claimed |
| EP-1122252-A1 | NITROGENOUS FUSED HETEROCYCLE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME | Takeda Chemical Industries, Ltd. (JP) | 2001-08-08 | — | — | EP | disclosed |
| JP-2000186088-A | NITROGEN-CONTAINING CONDENSED HETEROCYCLIC RING DERIVATIVE, ITS PRODUCTION AND USE THEREOF | TAKEDA CHEM IND LTD | 2000-07-04 | — | — | JP | disclosed |