Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9216436 | 0.86 | RAB9A (0.42) | HTTMEN1KMT2AALDH1A1ACHE | |
| SCHEMBL4634298 | 0.83 | CA12 (0.44) | HTTMEN1KMT2ACA12CA9 | |
| SCHEMBL104821 | 0.82 | ALDH1A1 (0.42) | HTTMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL10012175 | 0.79 | ACHE (0.46) | HTTMEN1KMT2AALDH1A1ACHE | |
| SCHEMBL10966921 | 0.75 | CYP3A4 (0.58) | HTTMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL2140337 | 0.73 | ALDH1A1 (0.48) | CA9ALDH1A1ACHELMNATSHR | |
| SCHEMBL5604869 | 0.72 | ALDH1A1 (0.52) | TSPOHTTMEN1KMT2ACA12 | |
| SCHEMBL15306317 | 0.72 | ALDH1A1 (0.52) | TSPOHTTMEN1KMT2ACA12 | |
| SCHEMBL9276044 | 0.71 | KMT2A (0.43) | HTTMEN1KMT2AALDH1A1CYP1A2 | |
| SCHEMBL14471755 | 0.71 | ALDH1A1 (0.39) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1994013646-A1 | N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-23 | — | — | WO | disclosed |