Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.46 |
| ▸ | CACNA1G | O43497 | 3/20 | 0.45 |
| ▸ | CACNA1I | Q9P0X4 | 3/20 | 0.45 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | TPO | P07202 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5869934 | 0.83 | HDAC1 (0.55) | HDAC1CYP19A1CACNA1GCACNA1IMPO | |
| SCHEMBL10271012 | 0.81 | HDAC1 (0.50) | HDAC1CYP19A1CACNA1GCACNA1IMPO | |
| SCHEMBL8223815 | 0.80 | RAB9A (0.51) | CYP19A1ALDH1A1NPC1RAB9AKDM4E | |
| SCHEMBL28862067 | 0.77 | HDAC1 (0.50) | HDAC1CYP19A1CACNA1GCACNA1IMPO | |
| SCHEMBL18577540 | 0.77 | CYP19A1 (0.48) | HDAC1CYP19A1CACNA1GCACNA1ICYP3A4 | |
| SCHEMBL28862061 | 0.74 | HDAC1 (0.44) | HDAC1CYP19A1CACNA1GCACNA1IMPO | |
| SCHEMBL8011610 | 0.73 | CACNA1G (0.51) | HDAC1CYP19A1CACNA1GCACNA1IALDH1A1 | |
| SCHEMBL22149669 | 0.73 | CYP19A1 (0.48) | HDAC1CYP19A1CACNA1GCACNA1ICYP3A4 | |
| SCHEMBL10247346 | 0.73 | GFER (0.60) | HDAC1CYP19A1CACNA1GCACNA1IALDH1A1 | |
| SCHEMBL18577609 | 0.73 | CYP19A1 (0.48) | HDAC1CYP19A1CACNA1GCACNA1ICYP3A4 |
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-7045532-B2 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-05-16 | — | — | US | disclosed |
| US-20040082496-A1 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. | 2004-04-29 | — | — | US | disclosed |
| US-20040082496-A1 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. | 2004-04-29 | — | — | US | disclosed |
| WO-2002039997-A2 | ACE-2 MODULATING COMPOUNDS AND USE THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-05-23 | — | — | 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 (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-20040082496-A1 | ACE-2 modulating compounds and methods of use thereof | ACE, ACE2, AGTR2 | HDAC1 236/4885CYP19A1 876/4885CACNA1G 3249/4885 |
“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.