Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL843559 | 0.73 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL30197316 | 0.73 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL6276159 | 0.73 | ADRB1 (0.48) | MAPTCYP1A2CYP2C9CYP2C19 | |
| Ammonia Solution, Strong SCHEMBL27851817 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL28301520 | 0.71 | CYP1A2 (0.61) | ALDH1A1TDP1MAPTPOLBLMNA | |
| SCHEMBL4053942 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL8563735 | 0.70 | NOS2 (0.50) | ALDH1A1MAPTHPGDLMNAKMT2A | |
| SCHEMBL801243 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL31020500 | 0.70 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRMAPTHPGD | |
| SCHEMBL29674727 | 0.70 | NOS2 (0.50) | ALDH1A1TDP1TSHRMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0623620-B1 | 5-HT3 Pyrrolopyrazine derivatives | ADIR (FR) | 1998-09-09 | — | — | EP | disclosed |
| US-5599812-A | ANTISEROTONINE AGENTS | ADIR ET COMPAGNIE (FR) | 1997-02-04 | — | — | US | disclosed |
| EP-0623620-A1 | 5-HT3 Pyrrolopyrazine derivatives | ADIR ET COMPAGNIE (FR) | 1994-11-09 | — | — | EP | disclosed |