Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.50 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | CASP1 | P29466 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| Phenylpiperazine SCHEMBL3979040 | 0.87 | HTR3E (0.69) | MAOBALDH1A1TSHRUSP2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL16422578 | 0.86 | MAOB (0.46) | MAOBALDH1A1TSHRUSP2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL6336692 | 0.86 | ADRB1 (0.69) | MAOBALDH1A1TSHRUSP2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL30182373 | 0.86 | ALDH1A1 (0.53) | MAOBALDH1A1TSHRUSP2HSD17B10 | |
| Trifluoroacetic Acid SCHEMBL5265518 | 0.84 | USP2 (0.59) | ALDH1A1TSHRUSP2HSD17B10ADRB1 | |
| SCHEMBL233425 | 0.84 | ADRB1 (0.63) | MAOBALDH1A1ADRB1HTR3EHTR3B | |
| SCHEMBL894537 | 0.84 | ADRB1 (0.63) | MAOBALDH1A1ADRB1HTR3EHTR3B | |
| Trifluoroacetic Acid SCHEMBL6392063 | 0.83 | ALDH1A1 (0.57) | MAOBALDH1A1TSHRUSP2HSD17B10 | |
| Piperazine SCHEMBL7486912 | 0.82 | ADRB1 (0.61) | MAOBALDH1A1ADRB1HTR3EHTR3B | |
| Hydrochloric Acid SCHEMBL1005870 | 0.82 | ADRB1 (0.61) | MAOBALDH1A1ADRB1HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1851199-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | Aventis Pharmaceuticals, Inc. (US) | 2007-11-07 | — | — | EP | disclosed |
| WO-2006086705-A1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 2006-08-17 | — | — | WO | disclosed |