Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.39 |
| ▸ | ITGAV | P06756 | 4/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.39 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.39 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27494111 | 1.00 | DRD2 (0.42) | DRD2ADRA1ADRD3NPC1RAB9A | |
| SCHEMBL27495702 | 1.00 | DRD2 (0.42) | DRD2ADRA1ADRD3NPC1RAB9A | |
| SCHEMBL27510621 | 0.84 | ITGB3 (0.48) | NPC1RAB9AMEN1KMT2AGAA | |
| SCHEMBL27511699 | 0.83 | ITGB3 (0.52) | NPC1RAB9APKMSMN1; SMN2KMT2A | |
| SCHEMBL27509893 | 0.81 | NPC1 (0.58) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| SCHEMBL27509166 | 0.81 | NPC1 (0.58) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| SCHEMBL28741340 | 0.81 | NPC1 (0.58) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| SCHEMBL27494528 | 0.80 | ITGB3 (0.45) | PKMMEN1KMT2AGAAALDH1A1 | |
| SCHEMBL27509544 | 0.76 | ITGB3 (0.41) | NPC1RAB9ASMN1; SMN2ALDH1A1CYP2C19 | |
| SCHEMBL27493347 | 0.76 | CYP2D6 (0.41) | SMN1; SMN2MEN1KMT2AGAAALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1223650-A | Piperidines and pyrrolidines | MERCK PATENT GMBH (DE) | 1999-07-21 | — | — | CN | disclosed |