Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 3/20 | 0.34 |
| ▸ | HCAR1 | Q9BXC0 | 3/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | KDM4A | O75164 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | CDH1 | P12830 | 1/20 | 0.30 |
| ▸ | TCF4 | P15884 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | APC | P25054 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11060337 | 0.90 | CRHR1 (0.33) | CRHR1 | |
| SCHEMBL11050289 | 0.88 | ESR1 (0.39) | — | |
| SCHEMBL11055502 | 0.88 | AURKA (0.32) | — | |
| SCHEMBL11050393 | 0.87 | ESR1 (0.31) | CRHR1KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL11474313 | 0.85 | MEN1 (0.31) | NPC1LMNARAB9AKMT2ANOS3 | |
| SCHEMBL11054404 | 0.84 | HCAR1 (0.46) | HCAR1CHRNA7ALDH1A1POLBKMT2A | |
| SCHEMBL11351070 | 0.84 | ALDH1A1 (0.41) | CRHR1TP53KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11052665 | 0.83 | HCAR1 (0.44) | HCAR1CHRNA7ALDH1A1POLBKMT2A | |
| SCHEMBL11059281 | 0.81 | KDM4E (0.37) | CRHR1KDM4EALDH1A1NOS3NOS2 | |
| SCHEMBL11058230 | 0.79 | ESR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |