Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.55 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL16924488 | 0.86 | MAPT (0.44) | ADAMTS5PIN1KMT2APOLBGAA | |
| SCHEMBL30181358 | 0.86 | MAPT (0.44) | ADAMTS5PIN1KMT2APOLBGAA | |
| Hydrochloric Acid SCHEMBL29956249 | 0.84 | MAPT (0.43) | ADAMTS5PIN1KMT2APOLBGAA | |
| SCHEMBL29951153 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HTTRAB9AKDM4EMMP2 | |
| SCHEMBL29951431 | 0.79 | ALDH1A1 (0.51) | ALDH1A1HTTRAB9AKDM4EMMP2 | |
| SCHEMBL29951338 | 0.79 | ALDH1A1 (0.56) | KMT2AGAAHSD17B10ALDH1A1HPGD | |
| SCHEMBL29954586 | 0.79 | ALPL (0.51) | ADAMTS5METAP2METAP1CBFB | |
| SCHEMBL1335316 | 0.79 | ALPL (0.51) | ADAMTS5METAP2METAP1CBFB | |
| SCHEMBL29953188 | 0.79 | MAPT (0.57) | ADAMTS5KMT2AGAAALDH1A1HPGD | |
| SCHEMBL18765292 | 0.78 | ALDH1A1 (0.54) | KMT2APOLBHSD17B10ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| CN-103333171-B | Synthetic method of pyrrole [1,2-a ] quinoxaline derivative | NANJING TECH UNIVERSITY (CN) | 2015-10-28 | — | — | CN | disclosed |