Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.35 |
| ▸ | OGA | O60502 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | UCHL3 | P15374 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10131403 | 0.81 | TNF (0.40) | NPC1RAB9AKMT2AGAALMNA | |
| SCHEMBL10112520 | 0.80 | PIM1 (0.34) | KMT2AKDM4EALDH1A1CYP1A2LMNA | |
| SCHEMBL20590758 | 0.78 | KDM4E (0.42) | NPC1RAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL10131219 | 0.78 | HRH3 (0.51) | NPC1RAB9AKMT2AKDM4EGAA | |
| SCHEMBL10112743 | 0.77 | KHK (0.43) | NPC1RAB9AGAAALDH1A1USP2 | |
| SCHEMBL17893618 | 0.76 | UCHL3 (0.39) | NPC1RAB9AKMT2ASUV39H2KDM4E | |
| SCHEMBL17310233 | 0.73 | MAP4K4 (0.54) | SUV39H2ALDH1A1LMNAMAPT | |
| SCHEMBL10200659 | 0.71 | PIM1 (0.45) | SUV39H2ROCK2GAA | |
| SCHEMBL7491417 | 0.71 | HRH3 (0.45) | NPC1RAB9AKMT2AKDM4EGAA | |
| SCHEMBL7492849 | 0.71 | SUV39H2 (0.40) | SUV39H2ALDH1A1USP2CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541572-B2 | Compounds for the treatment of inflammatory disorders | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | MERCK SHARP & DOHME CORP. | 2012-01-12 | — | — | 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 (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-20120010181-A1 | COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS | TNF, ADAMTS1, ADAMTS7 | NPC1 408/4885RAB9A 2120/4885KMT2A 4446/4885 |
“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.