Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 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 | |
|---|---|---|---|---|
| SCHEMBL28127469 | 0.92 | TSHR (0.58) | ALDH1A1TSHRRAB9ANPSR1MAPT | |
| SCHEMBL2488927 | 0.86 | — | — | |
| SCHEMBL165647 | 0.82 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDRAB9A | |
| SCHEMBL28787473 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL137155 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL5501929 | 0.81 | ALDH1A1 (0.67) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL11120626 | 0.80 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL17219856 | 0.80 | ALDH1A1 (0.60) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| SCHEMBL5501926 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ATMTSHRHPGDNPSR1 | |
| Fluoride SCHEMBL3958324 | 0.79 | ALDH1A1 (0.64) | ALDH1A1ATMTSHRHPGDNPSR1 |
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-0865445-A1 | 3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES | Roche Diagnostics GmbH (DE) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997021725-A1 | 3-AMINOETHYL-N-AMIDINO-2,5-DIHYDROPYRROLE DERIVATIVES HAVING ARGININE MIMETIC PROPERTIES | BOEHRINGER MANNHEIM GMBH (DE) | 1997-06-19 | — | — | WO | disclosed |