Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL519374 | 0.86 | ALDH1A1 (0.46) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL3050753 | 0.85 | POLB (0.47) | NPC1ALDH1A1GAAMAPTPOLB | |
| SCHEMBL7223016 | 0.81 | CYP2C9 (0.50) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL31218216 | 0.81 | ALDH1A1 (0.51) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL7223569 | 0.81 | ALDH1A1 (0.51) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL13899455 | 0.81 | ALDH1A1 (0.47) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL8966015 | 0.80 | NPC1 (0.54) | NPC1ALDH1A1GAAMAPTPOLB | |
| SCHEMBL29382210 | 0.79 | GAA (0.46) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL22833467 | 0.79 | GAA (0.46) | NPC1ALDH1A1GAATDP1MAPT | |
| SCHEMBL630387 | 0.79 | KDM4E (0.58) | NPC1ALDH1A1GAATDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-20250282736-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | ST JUDE CHILDRENS RES HOSPITAL (US) | 2025-09-11 | — | — | US | disclosed |
| WO-2023205344-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2023-10-26 | — | — | WO | disclosed |
| WO-2023205344-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) | 2023-10-26 | — | — | 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-20250282736-A1 | SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR | NR1H4, NR1I2, NR1I3 | NPC1 769/4885ALDH1A1 3469/4885GAA 3302/4885 |
“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.