Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | CTSD | P07339 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.38 |
| ▸ | GGT1 | P19440 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3357655 | 0.82 | ALDH1A1 (0.52) | ALDH1A1ALOX15HTTKMT2ACTSD | |
| SCHEMBL16669782 | 0.80 | ALDH1A1 (0.50) | ALDH1A1ALOX15HTTKMT2ACTSD | |
| SCHEMBL5427931 | 0.80 | KDM4E (0.59) | ALDH1A1ALOX15HTTKMT2ATP53 | |
| SCHEMBL431 | 0.78 | CTSD (0.63) | ALDH1A1HTTCTSDTP53HPGD | |
| SCHEMBL1996334 | 0.78 | CTNNB1 (0.60) | ALDH1A1HTTKMT2AKDM4EHPGD | |
| SCHEMBL29392137 | 0.78 | CTSD (0.63) | ALDH1A1HTTCTSDTP53HPGD | |
| SCHEMBL7910478 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALOX15HTTKMT2ACTSD | |
| SCHEMBL27972601 | 0.78 | ALDH1A1 (0.44) | ALDH1A1ALOX15HTTKMT2ACTSD | |
| Water SCHEMBL29682837 | 0.77 | KDM4E (0.55) | ALDH1A1ALOX15HTTKMT2ATP53 | |
| SCHEMBL28432969 | 0.77 | KMT2A (0.63) | ALDH1A1ALOX15HTTKMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0885199-A4 | KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF | ADOLOR CORP (US) | 2000-11-29 | — | — | EP | disclosed |
| EP-0885199-A1 | KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF | Adolor Corporation (US) | 1998-12-23 | — | — | EP | disclosed |
| WO-1997032857-A1 | KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF | ADOLOR CORPORATION (US) | 1997-09-12 | — | — | WO | disclosed |