Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL17361179 | 0.95 | ALDH1A1 (0.40) | ALDH1A1GAANPSR1HPGDTSHR | |
| SCHEMBL17361198 | 0.95 | ALDH1A1 (0.40) | ALDH1A1GAANPSR1HPGDTSHR | |
| SCHEMBL7162585 | 0.95 | ALDH1A1 (0.40) | ALDH1A1GAANPSR1HPGDTSHR | |
| SCHEMBL27814476 | 0.90 | ALDH1A1 (0.36) | ALDH1A1GAATSHRTP53CYP3A4 | |
| SCHEMBL1580236 | 0.78 | — | — | |
| SCHEMBL4911523 | 0.77 | HPGD (0.46) | ALDH1A1NPSR1HPGDTSHRKDM4E | |
| SCHEMBL30289815 | 0.77 | HPGD (0.46) | ALDH1A1NPSR1HPGDTSHRKDM4E | |
| SCHEMBL28443036 | 0.77 | ALDH1A1 (0.36) | ALDH1A1GAATSHRTP53CYP3A4 | |
| SCHEMBL542156 | 0.76 | ALDH1A1 (0.33) | ALDH1A1GAANPC1RAB9AMAPT | |
| SCHEMBL17361192 | 0.75 | HPGD (0.39) | ALDH1A1NPSR1HPGDTSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025224196-A1 | COMPOUNDS | KING'S COLLEGE LONDON (GB) | 2025-10-30 | — | — | WO | disclosed |
| CN-109843335-A | Pyrrolobenzodiazepines Zhuo conjugate | 麦迪穆有限责任公司 | 2019-06-04 | — | — | CN | disclosed |
| EP-2098534-A1 | Esters of glucuronide prodrugs of anthracyclines and method of preparation and use in tumor-selective chemotherapy | PHARMACHEMIE B.V. (NL) | 2009-09-09 | — | — | EP | disclosed |