Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 5/20 | 0.39 |
| ▸ | IKBKB | O14920 | 2/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2431437 | 1.00 | NPC1 (0.43) | NPC1RAB9AHPGDMEN1MAPT | |
| SCHEMBL2433167 | 0.77 | BRD4 (0.47) | NPC1RAB9AHPGDMEN1KMT2A | |
| SCHEMBL29946409 | 0.72 | MIF (0.63) | NPC1RAB9AHPGDMEN1MAPT | |
| SCHEMBL7001015 | 0.72 | MIF (0.63) | NPC1RAB9AHPGDMEN1MAPT | |
| SCHEMBL30938680 | 0.72 | MIF (0.63) | NPC1RAB9AHPGDMEN1MAPT | |
| SCHEMBL7001016 | 0.72 | MIF (0.63) | NPC1RAB9AHPGDMEN1MAPT | |
| SCHEMBL11294831 | 0.71 | MEN1 (0.40) | RAB9AMEN1MAPTKMT2AL3MBTL1 | |
| SCHEMBL17571252 | 0.71 | MAOB (0.64) | NPC1RAB9AMEN1MAPTPKM | |
| SCHEMBL6990660 | 0.71 | MAOB (0.64) | NPC1RAB9AMEN1MAPTPKM | |
| SCHEMBL6990658 | 0.71 | MAOB (0.64) | NPC1RAB9AMEN1MAPTPKM |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288400-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-19 | — | — | US | disclosed |
| US-8017619-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-13 | — | — | US | disclosed |
| US-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-04 | — | — | US | disclosed |
| US-7700609-B2 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1692140-B1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-12-09 | — | — | EP | disclosed |
| EP-1692140-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | Vertex Pharmaceuticals Incorporated (US) | 2006-08-23 | — | — | EP | disclosed |
| US-20050148603-A1 | Compositions useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED | 2005-07-07 | — | — | US | disclosed |
| WO-2005037843-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-04-28 | — | — | 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 (3 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-20100280026-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | NPC1 2338/4885RAB9A 1786/4885HPGD 2739/4885 |
| US-20050148603-A1 | Compositions useful as inhibitors of protein kinases | MAP3K20, MAP3K1, MAP3K6 | NPC1 2338/4885RAB9A 1786/4885HPGD 2739/4885 |
| US-20120183577-A1 | COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES | MAP3K20, MAP3K1, MAP3K6 | NPC1 2338/4885RAB9A 1786/4885HPGD 2739/4885 |
“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.