Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | CNR2 | P34972 | 2/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LDHA | P00338 | 2/20 | 0.47 |
| ▸ | LDHB | P07195 | 2/20 | 0.47 |
| ▸ | VNN1 | O95497 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL8977544 | 0.82 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9AKDM4EPOLB | |
| SCHEMBL1045991 | 0.78 | SMN1; SMN2 (0.58) | SMN1; SMN2RAB9AKDM4EMAPTALDH1A1 | |
| Iodide SCHEMBL10528563 | 0.77 | RAB9A (0.65) | SMN1; SMN2NPC1RAB9AKDM4EPOLB | |
| SCHEMBL15197114 | 0.77 | SMN1; SMN2 (0.58) | SMN1; SMN2RAB9AKDM4EPOLBMAPT | |
| SCHEMBL11732492 | 0.76 | GAA (0.55) | NPC1RAB9APOLBMAPTCNR2 | |
| SCHEMBL15201993 | 0.76 | SRD5A2 (0.50) | NPC1RAB9APOLBMAPTCNR2 | |
| SCHEMBL1237189 | 0.75 | SRD5A2 (0.79) | POLBMAPTCNR2SRD5A2CES2 | |
| Acetic Acid SCHEMBL11190446 | 0.71 | SRD5A2 (0.51) | NPC1RAB9APOLBMAPTCNR2 | |
| SCHEMBL1044812 | 0.71 | SRD5A2 (0.83) | CNR2SRD5A2CES2LMNAVNN1 | |
| SCHEMBL27160486 | 0.70 | SRD5A2 (0.57) | CNR2SRD5A2CES2TSHRVNN1 |
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-5017596-A | Arylpyrazolylcarbinol compounds with analgesic activity | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1991-05-21 | — | — | US | disclosed |