Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.55 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | RRM1 | P23921 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL27909374 | 0.86 | SIGMAR1 (0.62) | SIGMAR1ALDH1A1KDM4ECYP2A13MAPT | |
| SCHEMBL27909460 | 0.82 | KMT2A (0.58) | ALDH1A1KDM4EHTTCYP2A13GAA | |
| SCHEMBL27909438 | 0.82 | CYP2A13 (0.53) | ALDH1A1KDM4ECYP2A13POLBATM | |
| SCHEMBL27909369 | 0.82 | ALDH1A1 (0.55) | ALDH1A1KDM4EHTTCYP2A13KMT2A | |
| SCHEMBL27927120 | 0.81 | SIGMAR1 (0.60) | SIGMAR1ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL11360607 | 0.80 | SIGMAR1 (0.85) | SIGMAR1ALDH1A1KDM4EPLA2G1BRAB9A | |
| SCHEMBL9216354 | 0.77 | MAPT (0.54) | SIGMAR1ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL27927211 | 0.77 | POLB (0.61) | ALDH1A1HTTGAAPOLBSMN1; SMN2 | |
| SCHEMBL27927147 | 0.77 | ALDH1A1 (0.50) | SIGMAR1ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL27909392 | 0.77 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTPOLBRRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103130745-A | Diaryl-piperazines compound and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2013-06-05 | — | — | CN | claimed |
| CN-103130745-A | Diaryl-piperazines compound and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2013-06-05 | — | — | CN | disclosed |