Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | PTPRC | P08575 | 2/20 | 0.62 |
| ▸ | CTSL | P07711 | 1/20 | 0.62 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 4/20 | 0.61 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.61 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.59 |
| ▸ | EGFR | P00533 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL17862109 | 0.84 | ALDH1A1 (0.61) | ALDH1A1MEN1KMT2AGAATSHR | |
| SCHEMBL29370025 | 0.82 | ALDH1A1 (0.78) | ALDH1A1MEN1KMT2AGAATSHR | |
| SCHEMBL4158879 | 0.82 | NPC1 (0.66) | ALDH1A1PTPRCCTSLPTPN13HPGD | |
| SCHEMBL11900090 | 0.81 | HDAC6 (0.85) | TSHRHPGDPOLBHDAC2HDAC8 | |
| SCHEMBL16431115 | 0.81 | NPC1 (0.63) | ALDH1A1MEN1KMT2AHPGDHSD17B10 | |
| SCHEMBL11902028 | 0.80 | NR1H4 (0.79) | ALDH1A1HPGDHSD17B10HDAC2HDAC8 | |
| SCHEMBL11900328 | 0.80 | HDAC6 (0.87) | ALDH1A1MEN1KMT2AGAAHPGD | |
| SCHEMBL2915318 | 0.79 | HDAC6 (0.74) | ALDH1A1KMT2AHPGDHDAC2HDAC8 | |
| SCHEMBL7844926 | 0.79 | ALDH1A1 (0.57) | ALDH1A1MEN1KMT2AGAATSHR | |
| SCHEMBL3589250 | 0.78 | PTPRC (0.52) | ALDH1A1MEN1KMT2APTPRCCTSL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040063785-A1 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | GUILFORD PHARMACEUTICALS, INC. | 2004-04-01 | — | — | US | disclosed |
| EP-1360167-A1 | SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE | GUILFORD PHARMACEUTICALS INC. (US) | 2003-11-12 | — | — | EP | disclosed |
| US-6635786-B2 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | GUILFORD PHARMACEUTICALS, INC. | 2003-10-21 | — | — | US | disclosed |
| US-20020132852-A1 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | GUILFORD PHARMACEUTICALS, INC. | 2002-09-19 | — | — | US | disclosed |
| WO-2002057211-A1 | SYMMETRICALLY DISUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING POLY (ADP-RIBOSE) GLYCOHYDROLASE, AND METHODS FOR THEIR USE | GUILFORD PHARMACEUTICALS, INC. (US) | 2002-07-25 | — | — | 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 (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-20040063785-A1 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | PARG, PARP1, PARP11 | ALDH1A1 916/4885MEN1 3273/4885KMT2A 2020/4885 |
| US-20020132852-A1 | Symmetrically disubstituted aromatic compounds and pharmaceutical compositions for inhibiting poly (ADP-ribose) glycohydrolase, and methods for their use | PARG, PARP1, PARP11 | ALDH1A1 916/4885MEN1 3273/4885KMT2A 2020/4885 |
“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.