Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | FAAH | O00519 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | DRD4 | P21917 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861919 | 0.86 | ALDH1A1 (0.56) | SIGMAR1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL4390822 | 0.79 | POLB (0.55) | SIGMAR1ALDH1A1FAAHKMT2AMEN1 | |
| SCHEMBL11360607 | 0.73 | SIGMAR1 (0.85) | SIGMAR1ALDH1A1FAAHKMT2ARAB9A | |
| SCHEMBL2931693 | 0.73 | FAAH (0.70) | SIGMAR1ALDH1A1FAAHKMT2AMEN1 | |
| SCHEMBL30064670 | 0.71 | ALDH1A1 (0.61) | SIGMAR1ALDH1A1FAAHKMT2AMEN1 | |
| SCHEMBL28910476 | 0.71 | CXCR4 (0.61) | SIGMAR1ALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL14997535 | 0.70 | ALDH1A1 (0.62) | SIGMAR1ALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL15610703 | 0.69 | SIGMAR1 (0.71) | SIGMAR1ALDH1A1KMT2AMEN1RAB9A | |
| SCHEMBL1852774 | 0.69 | SIGMAR1 (0.71) | SIGMAR1ALDH1A1KMT2ARAB9AKDM4E | |
| SCHEMBL10144127 | 0.69 | TP53 (0.60) | ALDH1A1KMT2AMEN1POLBSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5684006-A | Isoxazole and pyrazole derivatives as dopamine receptor subtype ligands | MERCK, SHARP & DOHME, LTD. (GB) | 1997-11-04 | — | — | US | disclosed |