Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.53 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.49 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL26637816 | 0.85 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NFKB1NFKB2RELA | |
| SCHEMBL8499762 | 0.81 | TACR1 (0.51) | SLC5A1SLC5A2ITGB3ITGA2BPOLB | |
| SCHEMBL9285630 | 0.80 | KEAP1 (0.48) | ALDH1A1ITGB3ITGA2BPOLBFFAR1 | |
| Hydrochloric Acid SCHEMBL8500162 | 0.79 | TACR1 (0.50) | SLC5A1SLC5A2ITGB3ITGA2BPOLB | |
| SCHEMBL13745650 | 0.76 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2KMT2APOLBTSHR | |
| SCHEMBL24201498 | 0.75 | MEN1 (0.51) | ALDH1A1SMN1; SMN2SLC5A1SLC5A2ITGB3 | |
| SCHEMBL22373155 | 0.75 | CYP1A2 (0.47) | ALDH1A1SMN1; SMN2F2RL1ITGB3ITGA2B | |
| SCHEMBL11728918 | 0.75 | F2RL1 (0.57) | ALDH1A1SMN1; SMN2NFKB1NFKB2RELA | |
| SCHEMBL4251977 | 0.74 | TDP1 (0.59) | ALDH1A1SMN1; SMN2ITGB3ITGA2BTDP1 | |
| SCHEMBL11556980 | 0.74 | KMT2A (0.58) | ALDH1A1SMN1; SMN2KMT2AKDM4EPOLB |
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-5739150-A | Piperidinyl thiacyclic derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1998-04-14 | — | — | US | disclosed |
| EP-0626968-A4 | — | — | 1995-01-04 | — | — | EP | disclosed |
| EP-0626968-A1 | PIPERIDINYL THIACYCLIC DERIVATIVES | MERRELL PHARMACEUTICALS INC. (US) | 1994-12-07 | — | — | EP | disclosed |