Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9016301 | 0.89 | TAAR1 (0.52) | NPC1RAB9AFAAHGAATAAR1 | |
| SCHEMBL9058202 | 0.86 | FAAH (0.47) | NPC1RAB9AFAAHGAATAAR1 | |
| SCHEMBL9016298 | 0.85 | BRD4 (0.47) | NPC1RAB9AFAAHGAATAAR1 | |
| SCHEMBL6953240 | 0.82 | KMT2A (0.46) | ALDH1A1HTTNPC1RAB9AGAA | |
| SCHEMBL8699410 | 0.80 | MAPT (0.40) | ALDH1A1HTTNPC1RAB9AHSD17B10 | |
| SCHEMBL8699180 | 0.77 | HPGD (0.41) | ALDH1A1GAASMN1; SMN2KDM4E | |
| SCHEMBL9058102 | 0.76 | FAAH (0.43) | FAAHBRD4 | |
| SCHEMBL8699066 | 0.75 | RAB9A (0.44) | ALDH1A1NPC1RAB9AFAAHGAA | |
| SCHEMBL6966654 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HTTNPC1RAB9AFAAH | |
| SCHEMBL8699761 | 0.74 | RAB9A (0.43) | ALDH1A1NPC1RAB9AFAAHGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5780472-A | ANTITUMOR AGENTS | SAMJIN PHARMACEUTICAZL CO., LTD. (KR) | 1998-07-14 | — | — | US | disclosed |
| EP-0749425-A1 | NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME | SAMJIN PHARM. CO., LTD. (KR) | 1996-12-27 | — | — | EP | disclosed |
| WO-1996021648-A1 | NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 1996-07-18 | — | — | WO | disclosed |