Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.50 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8137182 | 0.84 | NISCH (0.53) | ALDH1A1CYP3A4KDM4EMEN1KMT2A | |
| SCHEMBL1719454 | 0.84 | NISCH (0.53) | ALDH1A1CYP3A4KDM4ENISCHMTOR | |
| SCHEMBL1688469 | 0.79 | NISCH (0.49) | ALDH1A1CYP3A4KDM4ECACNA1BNISCH | |
| SCHEMBL1838153 | 0.79 | NISCH (0.58) | ALDH1A1CYP3A4TSHRKDM4ENPC1 | |
| SCHEMBL8535895 | 0.79 | NISCH (0.49) | ALDH1A1CYP3A4TSHRKDM4ENISCH | |
| SCHEMBL7060159 | 0.79 | NISCH (0.49) | ALDH1A1CYP3A4KDM4EMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27817951 | 0.78 | NISCH (0.56) | ALDH1A1CYP3A4TSHRKDM4ENPC1 | |
| SCHEMBL3649556 | 0.76 | NISCH (0.58) | ALDH1A1CYP3A4TSHRKDM4ENPC1 | |
| SCHEMBL12714764 | 0.76 | SMPD3 (0.60) | ALDH1A1CYP3A4TSHRMAPK1KDM4E | |
| SCHEMBL7425938 | 0.76 | NISCH (0.45) | ALDH1A1CYP3A4KDM4ENISCHMTOR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020182990-A1 | FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES | Janssen Sciences Ireland Unlimited Company (IE) | 2020-09-17 | — | — | WO | disclosed |
| EP-0857171-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-08-12 | — | — | EP | disclosed |
| WO-1997015555-A2 | IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-05-01 | — | — | WO | disclosed |