Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.45 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764534 | 0.87 | DRD2 (0.53) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL14764354 | 0.85 | DRD2 (0.51) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL14765211 | 0.83 | KDM4E (0.44) | DRD2MAPTKMT2AALDH1A1GAA | |
| SCHEMBL8353109 | 0.74 | DRD2 (0.75) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL28115964 | 0.72 | SIGMAR1 (0.50) | MAPTRAB9AKMT2ASIGMAR1ALDH1A1 | |
| SCHEMBL8890453 | 0.72 | GAA (0.69) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL12265056 | 0.71 | DRD2 (0.65) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL5915124 | 0.68 | DRD2 (1.00) | DRD2KMT2AHTR3EHTR3BADRB1 | |
| SCHEMBL14362730 | 0.68 | HTR3E (0.63) | DRD2MAPTRAB9AKMT2AHTR3E | |
| SCHEMBL6153220 | 0.68 | ALDH1A1 (0.66) | DRD2MAPTRAB9AKMT2AHTR3E |
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-2013036866-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-03-14 | — | — | WO | disclosed |