Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11671412 | 0.89 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL28635231 | 0.85 | CYP3A4 (0.47) | ALDH1A1KDM4EMAPTTSHRCYP3A4 | |
| SCHEMBL11671245 | 0.81 | LMNA (0.46) | ALDH1A1KDM4EMAPTAGTR1TSHR | |
| SCHEMBL11670851 | 0.80 | NPC1 (0.50) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL11670467 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL11670703 | 0.80 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL24833805 | 0.79 | LMNA (0.45) | ALDH1A1KDM4EMAPTTSHRCYP3A4 | |
| SCHEMBL11670681 | 0.78 | TSPO (0.51) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL11670819 | 0.78 | HSD17B10 (0.45) | ALDH1A1KDM4EMAPTAGTR1USP2 | |
| SCHEMBL29520654 | 0.76 | CYP3A4 (0.46) | ALDH1A1KDM4EMAPTTSHRCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4039526-A | PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |
| US-4039539-A | 1,2,4-Triazole-azo-aniline cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |