Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27831817 | 0.83 | ALDH1A1 (0.49) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL6422289 | 0.82 | NPC1 (0.47) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL19027679 | 0.81 | ALDH1A1 (0.65) | NPC1RAB9AALDH1A1NPSR1KMT2A | |
| SCHEMBL22649239 | 0.80 | ALDH1A1 (0.46) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL258776 | 0.80 | AOC3 (0.54) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL13903505 | 0.80 | PTGES (0.54) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL13903560 | 0.80 | EPHX2 (0.48) | HDAC3KMT2AMEN1 | |
| SCHEMBL968919 | 0.79 | NPC1 (0.67) | NPC1RAB9AKMT2AMEN1CA12 | |
| SCHEMBL22649147 | 0.79 | HDAC3 (0.45) | NPC1RAB9AAOC3ALDH1A1NPSR1 | |
| SCHEMBL10416109 | 0.79 | AOC3 (0.54) | NPC1RAB9AAOC3ALDH1A1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644025-A4 | WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS | VION PHARMACEUTICALS INC (US) | 2006-11-15 | — | — | EP | disclosed |
| EP-1644025-A1 | WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS | Vion Pharmaceuticals, Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| US-20050043244-A1 | Water-soluble SHPs as novel alkylating agents | VION PHARMACEUTICALS, INC. (US) | 2005-02-24 | — | — | US | disclosed |
| US-6855695-B2 | Water-soluble SHPs as novel alkylating agents | VION PHARMACEUTICALS, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| WO-2005004897-A1 | WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS | VION PHARMACEUTICALS, INC. (US) | 2005-01-20 | — | — | WO | disclosed |
| US-20040254103-A1 | WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS | NANOSHIFT, LLC | 2004-12-16 | — | — | US | 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-20040254103-A1 | WATER-SOLUBLE SHPS AS NOVEL ALKYLATING AGENTS | SHPRH, OGFR, COG3 | NPC1 3841/4885RAB9A 3812/4885AOC3 2260/4885 |
| US-20050043244-A1 | Water-soluble SHPs as novel alkylating agents | GRM3, GRIA3, SHPRH | NPC1 4197/4885RAB9A 4320/4885AOC3 502/4885 |
“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.