Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18317027 | 0.89 | MEN1 (0.41) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL18317035 | 0.88 | MEN1 (0.41) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL18317003 | 0.88 | MEN1 (0.43) | NPC1KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL18317017 | 0.80 | NOS3 (0.46) | NPC1RAB9AKDM4EMEN1KMT2A | |
| SCHEMBL17646472 | 0.80 | F2 (0.53) | NPC1RAB9AKDM4EALDH1A1NUDT1 | |
| SCHEMBL17646471 | 0.79 | KDM4E (0.41) | KDM4ENUDT1HSP90AA1HSP90AB1ADORA3 | |
| SCHEMBL16984472 | 0.78 | KDM4E (0.55) | RAB9APOLBKDM4EMEN1KMT2A | |
| SCHEMBL18327761 | 0.77 | GLS (0.38) | NPC1RAB9APOLBCASP3SENP8 | |
| SCHEMBL9724344 | 0.77 | MAPT (0.45) | NPC1POLBKDM4EMEN1KMT2A | |
| Acetic Acid SCHEMBL9849558 | 0.77 | KDM4E (0.54) | RAB9APOLBKDM4EMEN1KMT2A |
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-9783500-B2 | 2-aminoquinoline-based compounds for potent and selective neuronal nitric oxide synthase inhibition | NORTHWESTERN UNIVERSITY (US) | 2017-10-10 | — | — | US | disclosed |
| US-20160368877-A1 | 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2016-12-22 | — | — | 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-20160368877-A1 | 2-Aminoquinoline-Based Compounds for Potent and Selective Neuronal Nitric Oxide Synthase Inhibition | NOS2, NOS3, NOS1 | NPC1 1883/4885RAB9A 2178/4885POLB 2405/4885 |
“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.