Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.47 |
| ▸ | HTR2A | P28223 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | PAM | P19021 | 1/20 | 0.42 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6688223 | 0.89 | SIGMAR1 (0.45) | SIGMAR1HTR2AHTR2CHTR2BKDM4E | |
| Styrene SCHEMBL6256107 | 0.81 | ALDH1A1 (0.44) | SIGMAR1HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL18828589 | 0.79 | ALDH1A1 (0.49) | SIGMAR1HTR2AHTR2CHTR2BKDM4E | |
| SCHEMBL497926 | 0.79 | ALDH1A1 (0.37) | SIGMAR1HTR2AHTR2CHTR2B | |
| SCHEMBL10430031 | 0.78 | IDO1 (0.56) | SIGMAR1HTR2AIDO1PAM | |
| SCHEMBL7568412 | 0.78 | IDO1 (0.56) | SIGMAR1HTR2AIDO1PAM | |
| SCHEMBL7939387 | 0.78 | IDO1 (0.56) | SIGMAR1HTR2AIDO1PAM | |
| SCHEMBL4478034 | 0.77 | SIGMAR1 (0.45) | SIGMAR1HTR2AKDM4EIDO1PAM | |
| SCHEMBL4478027 | 0.77 | SIGMAR1 (0.45) | SIGMAR1HTR2AKDM4EIDO1PAM | |
| SCHEMBL4478424 | 0.77 | SIGMAR1 (0.45) | SIGMAR1HTR2AKDM4EIDO1PAM |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |