Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3751991 | 0.88 | ALDH1A1 (0.47) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL27619846 | 0.88 | ALDH1A1 (0.47) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL2116341 | 0.82 | HTR1A (0.49) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL8296862 | 0.81 | HTR1A (0.48) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL2116337 | 0.81 | HTR1A (0.48) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL24114600 | 0.81 | BCHE (0.51) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL17142474 | 0.81 | HTR1A (0.48) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL6627539 | 0.81 | BCHE (0.51) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL12157375 | 0.81 | BCHE (0.51) | HTR1AALDH1A1HRH2HRH1HRH3 | |
| SCHEMBL771857 | 0.79 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8084485-B2 | 6-(aminoalkyl)indazoles | VITAE PHARMACEUTICALS, INC. (US) | 2011-12-27 | — | — | US | disclosed |
| US-20100331287-A1 | 6-(Aminoalkyl)Indazoles | VITAE PHARMACEUTICALS, INC. | 2010-12-30 | — | — | US | disclosed |
| US-20100298328-A1 | 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes | VITAE PHARMACEUTICALS, INC | 2010-11-25 | — | — | US | disclosed |
| US-20080293701-A1 | 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors | VITAE PHARMACEUTICALS, INC. | 2008-11-27 | — | — | US | disclosed |
| WO-2007123718-A1 | 1-HETEROCYCLYLAMINO-2-HYDROXY-3-AMINO-ω-ARYLALKANES | VITAE PHARMACEUTICALS, INC. (US) | 2007-11-01 | — | — | WO | disclosed |
| WO-2007120523-A2 | 6-(AMINOALKYL)INDAZOLES | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-25 | — | — | WO | disclosed |
| EP-1844002-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-10-17 | — | — | EP | disclosed |
| WO-2006083924-A1 | 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-08-10 | — | — | 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-20100331287-A1 | 6-(Aminoalkyl)Indazoles | REN, AGTR1, AGTR2 | HTR1A 2184/4885ALDH1A1 233/4885HRH2 962/4885 |
| US-20100298328-A1 | 1-Heterocyclylamino-2-Hydroxy-3-Amino-Omega-Arylalkanes | REN, AGTR1, AGTR2 | HTR1A 150/4885ALDH1A1 189/4885HRH2 256/4885 |
| US-20080293701-A1 | 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors | REN, AGTR1, AGTR2 | HTR1A 343/4885ALDH1A1 173/4885HRH2 110/4885 |
“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.