Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ACLY | P53396 | 4/20 | 0.36 |
| ▸ | DHPS | P49366 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.32 |
| ▸ | RORB | Q92753 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9025844 | 0.92 | ACLY (0.35) | TSHRNPC1MAPTSMN1; SMN2ACLY | |
| SCHEMBL9026841 | 0.90 | SHMT2 (0.37) | TSHRNPC1SLC9A1MEN1KMT2A | |
| SCHEMBL9026385 | 0.88 | CRHR1 (0.35) | TSHRNPC1SMN1; SMN2ACLYTP53 | |
| SCHEMBL9026086 | 0.87 | ALDH1A1 (0.37) | TSHRMAPTTP53MEN1KMT2A | |
| SCHEMBL9026448 | 0.87 | KMT2A (0.39) | TSHRNPC1MAPTSMN1; SMN2TP53 | |
| Water SCHEMBL9026104 | 0.85 | MAPT (0.33) | TSHRMAPTSMN1; SMN2ACLYTP53 | |
| Water SCHEMBL9026100 | 0.85 | MAPT (0.33) | TSHRMAPTSMN1; SMN2ACLYTP53 | |
| SCHEMBL9026411 | 0.83 | ALDH1A1 (0.43) | TSHRMAPTSMN1; SMN2TP53MEN1 | |
| SCHEMBL9025652 | 0.83 | TSHR (0.41) | TSHRMAPTMEN1KMT2A | |
| SCHEMBL9024884 | 0.82 | KDM4E (0.32) | TSHRSLC9A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711290-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1996-05-15 | — | — | EP | disclosed |
| WO-1995004052-A1 | METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES | SANOFI (FR) | 1995-02-09 | — | — | WO | disclosed |