Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 7/20 | 0.53 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.53 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | AKT3 | Q9Y243 | 5/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.47 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5032940 | 0.87 | MAPT (0.60) | ESRRGNPC1RAB9AKDM4ESMN1; SMN2 | |
| SCHEMBL5000312 | 0.84 | AKT3 (0.71) | ESRRGPTPN11PTPN2NPC1RAB9A | |
| SCHEMBL5000350 | 0.81 | AKT3 (0.74) | NPC1RAB9ASMN1; SMN2AKT3ALDH1A1 | |
| SCHEMBL20764061 | 0.71 | NPC1 (0.75) | ESRRGPTPN11PTPN2NPC1RAB9A | |
| SCHEMBL20764005 | 0.71 | HDAC3 (0.67) | ESRRGPTPN11PTPN2NPC1RAB9A | |
| SCHEMBL4929466 | 0.71 | NPC1 (0.58) | ESRRGPTPN11NPC1RAB9AKDM4E | |
| SCHEMBL20764089 | 0.70 | ESRRG (1.00) | ESRRGPTPN11PTPN2NPC1RAB9A | |
| SCHEMBL20764244 | 0.70 | ESRRG (1.00) | ESRRGPTPN11PTPN2NPC1RAB9A | |
| SCHEMBL13994822 | 0.70 | KDM4E (0.50) | NPC1RAB9AKDM4ESMN1; SMN2MEN1 | |
| SCHEMBL5005823 | 0.69 | AKT3 (0.77) | NPC1RAB9ASMN1; SMN2AKT3ALDH1A1 |
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-7470701-B2 | Substituted 2,5-heterocyclic derivatives | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2008-12-30 | — | — | US | disclosed |
| US-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | CHIRON CORPORATION (US) | 2005-11-17 | — | — | 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-20050256121-A1 | e.g. 3-(4-fluorophenyl)-N-{5-[2-(methylamino)pyrimidin-4-yl]thien-2-yl}propanamide; PKB/Akt kinase inhibitor; anticarcinogenic agent; carcinoma, cancer metastases, squamous cell carcinoma, esophageal squamous cell carcinoma, oral carcinoma, cutaneous T cell lymphoma, Hodgkin's lymphoma | MALT1, AKT1, PIK3CA | ESRRG 1407/4885PTPN11 1263/4885PTPN2 993/4885 |
“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.