Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.54 |
| ▸ | CES1 | P23141 | 2/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30425979 | 1.00 | CES2 (0.54) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL1158061 | 0.80 | ALDH1A1 (0.47) | ALDH1A1NPC1HPGDMAPTALOX15 | |
| SCHEMBL9221536 | 0.78 | CES2 (0.59) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL28092557 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL20560336 | 0.77 | ALDH1A1 (0.60) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL2031274 | 0.77 | CES2 (0.52) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL9539465 | 0.77 | ESR1 (0.45) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL21815266 | 0.76 | CES2 (0.56) | CES2CES1ALDH1A1NPC1HPGD | |
| Hydrochloric Acid SCHEMBL5022838 | 0.75 | CES2 (0.50) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL2489610 | 0.75 | CES2 (0.62) | CES2CES1ALDH1A1NPC1HPGD |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084903-A | Beta-carboline hydrogen sulfide donor derivative and preparation method and application thereof | 贵州医科大学 | 2024-05-28 | — | — | CN | disclosed |
| WO-2022257875-A1 | PYRIMIDINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海日馨医药科技股份有限公司 | 2022-12-15 | — | — | WO | disclosed |
| CN-107793388-B | Platemycin analogue and preparation method and application thereof | 长沙天赐生物医药科技有限公司 | 2021-06-11 | — | — | CN | disclosed |
| EP-1917265-B1 | HETEROARYL-SUBSTiTUTED DIAZATRICYCLOALKANES, METHODS FOR ITS PREPARATION AND USE THEREOF | TARGACEPT INC (US) | 2010-09-29 | — | — | EP | disclosed |
| US-20100197720-A1 | HETEROARYL-SUBSTITUTED DIAZATRICYCLOALKANES AND METHODS OF USE THEREOF | TARGACEPT, INC. (US) | 2010-08-05 | — | — | US | disclosed |
| US-7732607-B2 | Heteroaryl-substituted diazatricycloalkanes and methods of use thereof | TARGACEPT, INC. | 2010-06-08 | — | — | US | disclosed |
| EP-1917265-A1 | HETEROARYL-SUBSTiTUTED DIAZATRICYCLOALKANES, METHODS FOR ITS PREPARATION AND USE THEREOF | Targacept, Inc. (US) | 2008-05-07 | — | — | EP | disclosed |
| US-20070197579-A1 | Heteroaryl-Substituted Diazatricycloalkanes and Methods of Use Thereof | TARGACEPT, INC. | 2007-08-23 | — | — | US | disclosed |
| WO-2007024814-A1 | HETEROARYL-SUBSTiTUTED DIAZATRICYCLOALKANES, METHODS FOR ITS PREPARATION AND USE THEREOF | TARGACEPT, INC. (US) | 2007-03-01 | — | — | WO | disclosed |
| US-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4177268-A | Method of alleviating inflammation by administration of dexamethasone derivatives | JOUVEINAL S.A. (FR) | 1979-12-04 | — | — | US | disclosed |
| US-4098803-A | ANTIINFLAMMATORY AGENTS | JOUVEINAL S.A. (FR) | 1978-07-04 | — | — | US | disclosed |
| US-4098804-A | ANTIINFLAMMATORY AGENTS | JOUVEINAL S.A. (FR) | 1978-07-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100197720-A1 | HETEROARYL-SUBSTITUTED DIAZATRICYCLOALKANES AND METHODS OF USE THEREOF | CHRNA7, CHRNA1, CHRNA5 | CES2 231/4885CES1 385/4885ALDH1A1 1694/4885 |
| US-20070197579-A1 | Heteroaryl-Substituted Diazatricycloalkanes and Methods of Use Thereof | CHRNA7, CHRNA1, CHRNE | CES2 323/4885CES1 452/4885ALDH1A1 1733/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.