Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | LPO | P22079 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29117082 | 0.83 | LPO (0.49) | ALDH1A1KDM4ELPOLMNACYP1A2 | |
| SCHEMBL27362838 | 0.83 | ALDH1A1 (0.39) | CYP3A4NPSR1ALDH1A1SNCALMNA | |
| Benzene SCHEMBL27312447 | 0.80 | LPO (0.46) | ALDH1A1KDM4ELPOLMNACYP1A2 | |
| SCHEMBL28889147 | 0.75 | KMT2A (0.50) | ALDH1A1KDM4ELMNAKMT2ARAB9A | |
| SCHEMBL27360280 | 0.75 | CYP3A4 (0.33) | CYP3A4NPSR1ALDH1A1KDM4ESNCA | |
| SCHEMBL29182103 | 0.72 | ALDH1A1 (0.36) | CYP3A4ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL27352531 | 0.71 | CA12 (0.33) | CYP3A4ALDH1A1KDM4ESNCAHSD17B10 | |
| SCHEMBL5803359 | 0.71 | SLC22A12 (0.45) | CYP3A4NPSR1ALDH1A1KDM4ESNCA | |
| SCHEMBL28889149 | 0.69 | — | — | |
| SCHEMBL309967 | 0.68 | FDPS (0.39) | CYP3A4ALDH1A1KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-1057091-C | Novelc arbapenem derivatives | MEIJI SEIKA CO (JP) | 2000-10-04 | — | — | CN | disclosed |
| CN-1148390-A | Novelc arbapenem derivatives | MEIJI SEIKA CO (JP) | 1997-04-23 | — | — | CN | disclosed |