Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | PLEC | Q15149 | 1/20 | 0.45 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | BCL2 | P10415 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL27283211 | 0.90 | TSHR (0.46) | ALDH1A1KDM4EGAAMAPTHPGD | |
| Hydrochloric Acid SCHEMBL27760143 | 0.88 | TSHR (0.44) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL2755400 | 0.88 | ALDH1A1 (0.56) | ALDH1A1RAB9AMEN1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL10354232 | 0.86 | ALDH1A1 (0.54) | ALDH1A1RAB9AMEN1KMT2ANPC1 | |
| SCHEMBL15847165 | 0.83 | HTR7 (0.40) | ALDH1A1RAB9AKDM4EGAAMAPT | |
| SCHEMBL27811245 | 0.83 | TSHR (0.42) | ALDH1A1KDM4EGAAMAPTHPGD | |
| SCHEMBL17058903 | 0.82 | ACE2 (0.53) | ALDH1A1RAB9AMEN1KMT2ANPC1 | |
| SCHEMBL3360458 | 0.81 | EPHX2 (0.51) | ALDH1A1MEN1KMT2AKDM4EGAA | |
| SCHEMBL14922850 | 0.81 | ALDH1A1 (0.48) | ALDH1A1RAB9AMEN1KMT2ANPC1 | |
| SCHEMBL20045101 | 0.81 | MRGPRX4 (0.49) | ALDH1A1MEN1KMT2AKDM4EGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102099344-B | Imidazole carboxamides | LILLY CO ELI | 2013-10-30 | — | — | CN | disclosed |
| CN-102099344-A | Imidazole carboxamides | LILLY CO ELI | 2011-06-15 | — | — | CN | disclosed |
| CN-101563347-A | Vasopressin V1a antagonists | VANTIA LTD (GB) | 2009-10-21 | — | — | CN | disclosed |