Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 5/20 | 0.47 |
| ▸ | MAOB | P27338 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11102770 | 0.88 | MAOB (0.53) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL7777400 | 0.80 | MAOB (0.58) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL10249569 | 0.79 | MAOA (0.61) | HRH3BRD4MAOAMAOB | |
| SCHEMBL28010014 | 0.78 | ALDH1A1 (0.59) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL10606492 | 0.77 | HRH3 (0.63) | HRH3BRD4MAOAMAOBPBRM1 | |
| SCHEMBL6391911 | 0.76 | BRD4 (0.64) | HRH3BRD4MAPTLMNAMAOA | |
| SCHEMBL11079191 | 0.76 | MAOB (0.59) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL16622123 | 0.76 | HRH3 (0.49) | HRH3BRD4MAOAMAOBPBRM1 | |
| SCHEMBL17617962 | 0.76 | ALDH1A1 (0.60) | ALDH1A1TP53TSHRHIF1ACYP3A4 | |
| SCHEMBL3133660 | 0.75 | ALDH1A1 (0.59) | ALDH1A1TP53TSHRHIF1ACYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0043971-B1 | INDANONEOXYALKYLPIPERAZINE DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | BASF Aktiengesellschaft (DE) | 1984-12-19 | — | — | EP | disclosed |