Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8583575 | 0.95 | PDK2 (0.39) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8583129 | 0.90 | YAP1 (0.37) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8578768 | 0.89 | YAP1 (0.39) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8585747 | 0.86 | PDK2 (0.39) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8583685 | 0.85 | ALDH1A1 (0.42) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8582985 | 0.85 | ALDH1A1 (0.38) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8583657 | 0.83 | SCN9A (0.36) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8578809 | 0.81 | DRD2 (0.36) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8583191 | 0.81 | KDM4E (0.36) | ALDH1A1KDM4EHSD17B10HPGDTSHR | |
| SCHEMBL8581646 | 0.80 | PDK2 (0.42) | ALDH1A1KDM4EHSD17B10TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5840761-A | Alkylbenzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-11-24 | — | — | US | disclosed |