Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL6966387 | 0.98 | ALDH1A1 (0.44) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL6958469 | 0.86 | NPC1 (0.37) | ALDH1A1GAAHTTSMN1; SMN2KMT2A | |
| SCHEMBL6960236 | 0.84 | CCNA2 (0.38) | ALDH1A1GAAHTTSMN1; SMN2KMT2A | |
| SCHEMBL6956305 | 0.84 | ALDH1A1 (0.41) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL8088990 | 0.81 | MAPT (0.39) | ALDH1A1GAAKDM4EHPGDHTT | |
| SCHEMBL6960231 | 0.78 | HTT (0.41) | ALDH1A1KDM4EHTTSMN1; SMN2KMT2A | |
| Benzene SCHEMBL27466605 | 0.77 | ALDH1A1 (0.48) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL6965290 | 0.77 | ALDH1A1 (0.48) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL6964824 | 0.77 | ALDH1A1 (0.51) | ALDH1A1GAAKDM4EGLAHPGD | |
| SCHEMBL6953240 | 0.74 | KMT2A (0.46) | ALDH1A1GAAKDM4EGLAHPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850222-B1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | SAMJIN PHARM CO LTD (KR) | 2003-05-28 | — | — | EP | disclosed |
| US-6028195-A | AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 2000-02-22 | — | — | US | disclosed |
| EP-0850222-A1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Samjin Pharmaceutical Co., Ltd. (KR) | 1998-07-01 | — | — | EP | disclosed |
| WO-1998000402-A1 | PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 1998-01-08 | — | — | WO | disclosed |