Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | TERT | O14746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1323372 | 0.98 | CHAT (0.47) | CHATALDH1A1GAACYP2A6SLC22A2 | |
| SCHEMBL7047125 | 0.85 | CYP2A6 (0.48) | CHATGAACYP2A6HDAC8TERT | |
| SCHEMBL15823402 | 0.81 | ALDH1A1 (0.45) | CHATALDH1A1GAASLC22A2SLC22A1 | |
| Benzaldehyde SCHEMBL28682151 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CYP2A6SMN1; SMN2APOBEC3AAPOBEC3G | |
| Benzene SCHEMBL4555522 | 0.80 | CHAT (0.60) | CHATALDH1A1CYP2A6SLC22A2SLC22A1 | |
| SCHEMBL7044936 | 0.80 | CYP2A6 (0.47) | CHATALDH1A1CYP2A6TERTMAPT | |
| SCHEMBL11398927 | 0.80 | CYP2A6 (0.47) | CHATALDH1A1CYP2A6TERTMAPT | |
| SCHEMBL31397607 | 0.80 | TERT (0.48) | CHATALDH1A1GAASLC22A2SLC22A1 | |
| SCHEMBL372527 | 0.78 | CHAT (0.61) | CHATALDH1A1TERTMAPTRAB9A | |
| SCHEMBL1425978 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250002506-A1 | IMPROVED PROCESS FOR THE PREPARATION OF LURBINECTEDIN AND ITS MORPHS THEREOF | RK PHARMA INC. (US) | 2025-01-02 | — | — | US | claimed |
| WO-2023084329-A1 | IMPROVED PROCESS FOR THE PREPARATION OF LURBINECTEDIN AND ITS MORPHS THEREOF | RK PHARMA INC. (US) | 2023-05-19 | — | — | WO | claimed |
| US-20250002506-A1 | IMPROVED PROCESS FOR THE PREPARATION OF LURBINECTEDIN AND ITS MORPHS THEREOF | RK PHARMA INC. (US) | 2025-01-02 | — | — | US | disclosed |
| WO-2023084329-A1 | IMPROVED PROCESS FOR THE PREPARATION OF LURBINECTEDIN AND ITS MORPHS THEREOF | RK PHARMA INC. (US) | 2023-05-19 | — | — | WO | 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 (1 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-20250002506-A1 | IMPROVED PROCESS FOR THE PREPARATION OF LURBINECTEDIN AND ITS MORPHS THEREOF | RXFP1, REN, CIAPIN1 | CHAT 3287/4885ALDH1A1 1940/4885GAA 2788/4885 |
“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.