Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 3/20 | 0.47 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | SENP5 | Q96HI0 | 1/20 | 0.44 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.44 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.44 |
| ▸ | TNF | P01375 | 1/20 | 0.44 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.44 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7088400 | 0.80 | NPC1 (0.58) | RAB9AMEN1NPC1MAPTKMT2A | |
| SCHEMBL7088173 | 0.77 | RAB9A (0.61) | RAB9AKDM4EMEN1NPC1MAPT | |
| SCHEMBL7086173 | 0.77 | KCNK3 (0.50) | — | |
| SCHEMBL6120131 | 0.75 | HDAC1 (0.54) | PIN1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL7091413 | 0.75 | NPC1 (0.48) | HDAC8RAB9AKDM4EMEN1NPC1 | |
| SCHEMBL27510728 | 0.75 | TNF (0.41) | TNFNOD1RAB9AKDM4EMEN1 | |
| SCHEMBL7089037 | 0.75 | KMT2A (0.55) | MEN1GAAMAPTKMT2A | |
| SCHEMBL24272396 | 0.74 | HDAC1 (0.62) | PIN1HDAC1HDAC3HDAC4HDAC7 | |
| SCHEMBL7088706 | 0.73 | MEN1 (0.60) | RAB9AKDM4EMEN1NPC1GAA | |
| SCHEMBL7088685 | 0.73 | CHRM2 (0.49) | CASP3SENP7RAB9AKDM4EMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | MERCK PATENT GMBH (DE) | 2003-09-11 | — | — | US | disclosed |
| US-6559185-B2 | Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use | MERCK PATENT GMBH (DE) | 2003-05-06 | — | — | US | disclosed |
| US-20030069312-A1 | Antidiabetic agents | LARDY CLAUDE (FR) | 2003-04-10 | — | — | US | disclosed |
| US-6043281-A | ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-03-28 | — | — | 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-20030069312-A1 | Antidiabetic agents | SLC5A1, SLC5A2, GPR119 | PIN1 2886/4885PDK1 467/4885HDAC1 1246/4885 |
| US-20030171422-A1 | New nitromethyl ketones, process for preparing them and compositions containing them | AKR1B1, AKR1A1, AKR1C1 | PIN1 3028/4885PDK1 279/4885HDAC1 1177/4885 |
“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.