Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 8/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 6/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5712354 | 0.91 | ALDH1A1 (0.53) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL4628086 | 0.86 | TSHR (0.65) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL7530338 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL5137750 | 0.85 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL5621223 | 0.84 | ALDH1A1 (0.60) | ALDH1A1HSD17B10KDM4ETSHRL3MBTL1 | |
| SCHEMBL7159501 | 0.84 | ALDH1A1 (0.66) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL21385086 | 0.84 | ESR1 (0.61) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 | |
| SCHEMBL16993665 | 0.83 | ALDH1A1 (0.66) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL28326757 | 0.82 | ALDH1A1 (0.68) | ALDH1A1HSD17B10KDM4EPOLBTSHR | |
| SCHEMBL4628061 | 0.82 | TSHR (0.59) | ALDH1A1HSD17B10TSHRTDP1L3MBTL1 |
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-2004018414-A2 | ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |