Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.35 |
| ▸ | MEN1 | O00255 | 8/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.35 |
| ▸ | MAPT | P10636 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24635602 | 0.66 | HSD17B10 (0.36) | HSD17B10ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL24635653 | 0.66 | HTR2A (0.39) | PARP1HSD17B10ALDH1A1KDM4EMEN1 | |
| SCHEMBL24635743 | 0.66 | HTR2A (0.39) | PARP1HSD17B10ALDH1A1KDM4EMEN1 | |
| SCHEMBL19216639 | 0.65 | PARP1 (0.43) | PARP1HSD17B10ALDH1A1KDM4EMEN1 | |
| SCHEMBL261487 | 0.65 | PARP1 (0.64) | PARP1HTR3AALDH1A1KDM4EMEN1 | |
| SCHEMBL11242694 | 0.63 | PARP1 (0.60) | PARP1HTR3AKDM4EMEN1KMT2A | |
| SCHEMBL10955932 | 0.60 | PARP1 (0.60) | PARP1HTR3AALDH1A1KDM4EMAPT | |
| SCHEMBL742407 | 0.59 | PARP1 (1.00) | PARP1HTR3A | |
| SCHEMBL29687934 | 0.59 | PARP1 (1.00) | PARP1HTR3A | |
| SCHEMBL12628019 | 0.58 | NPC1 (0.55) | PARP1HTR3AMAPTCYP1A2DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023018480-A1 | SELECTIVE PSYCHEDELIC COMPOUNDS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2023-02-16 | — | — | WO | disclosed |