Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.41 |
| ▸ | SLC29A1 | Q99808 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3209262 | 0.86 | SLC29A1 (0.51) | ALDH1A1SLC29A1GAATSHRMAPT | |
| SCHEMBL7445171 | 0.81 | KDM4E (0.52) | ALDH1A1SLC29A1GAATSHRSMN1; SMN2 | |
| SCHEMBL13427885 | 0.79 | DDR1 (0.48) | ALDH1A1SLC29A1TSHRSMN1; SMN2MEN1 | |
| Bromide SCHEMBL3217532 | 0.78 | DDR1 (0.47) | ALDH1A1SLC29A1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL15693171 | 0.74 | HRH3 (0.41) | ALDH1A1MAPTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3229628 | 0.73 | CA12 (0.53) | ALDH1A1SLC29A1GAATSHRMAPT | |
| SCHEMBL24495622 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAATSHRMAPTTP53 | |
| SCHEMBL29831941 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAATSHRMAPTTP53 | |
| SCHEMBL6450457 | 0.73 | CHRM2 (0.38) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3799622 | 0.72 | PLA2G10 (0.41) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A |
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-20100055043-A1 | Poly-Halo Metal X-ray Contrast Agents | MALLINCKRODT INC. | 2010-03-04 | — | — | US | disclosed |
| EP-2089063-A2 | X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL | Mallinckrodt Inc. (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2008060399-A2 | X-RAY CONTRAST AGENTS COMPRISING A METAL CHELATE AND A POLYHALOGENATED PHENOL, THIOPHENOL, RESORCINOL, THIORESORCINOL OR DITHIORESORCINOL | MALLINCKRODT INC. (US) | 2008-05-22 | — | — | 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-20100055043-A1 | Poly-Halo Metal X-ray Contrast Agents | SLC39A3, ZNF277, TPR | ALDH1A1 3268/4885SLC29A1 1338/4885GAA 2050/4885 |
“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.