Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 8/20 | 0.48 |
| ▸ | RAB9A | P51151 | 8/20 | 0.48 |
| ▸ | TP53 | P04637 | 7/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6818931 | 0.81 | KMT2A (0.60) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL1179647 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL5483599 | 0.71 | PTPN1 (0.69) | ALDH1A1HPGDTDP1 | |
| SCHEMBL6914592 | 0.70 | XDH (0.37) | ALDH1A1HPGDHTT | |
| SCHEMBL6818740 | 0.70 | RXFP1 (0.71) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL11100104 | 0.70 | ALDH1A1 (0.77) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL6918289 | 0.69 | SMN1; SMN2 (0.38) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5486417 | 0.69 | NOTUM (0.56) | ALDH1A1HPGDTP53MAPTTHRB | |
| SCHEMBL6835728 | 0.69 | HDAC1 (0.49) | ALDH1A1HPGDNPC1RAB9ATP53 | |
| SCHEMBL7067539 | 0.68 | ALB (0.33) | THRB |
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-2004018428-A1 | ANTIBACTERIAL BENZOIC ACID DERIVATIVES | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |