Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.38 |
| ▸ | CTH | P32929 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TSPO | P30536 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29484430 | 0.80 | LMNA (0.42) | LMNAKMT2AMEN1OPRM1OPRK1 | |
| SCHEMBL10420496 | 0.78 | HMGB1 (0.53) | LMNAHMGB1CXCL12KMT2AMEN1 | |
| SCHEMBL11594746 | 0.78 | HTT (0.47) | KMT2AMEN1NPC1KDM4EALDH1A1 | |
| SCHEMBL11099488 | 0.76 | LMNA (0.40) | LMNAKMT2AMEN1OPRM1KDM4E | |
| SCHEMBL9863678 | 0.74 | LMNA (0.45) | LMNAKMT2AMEN1NPC1KDM4E | |
| SCHEMBL11766997 | 0.73 | KMT2A (0.56) | KMT2AMEN1PTPN1TSPOL3MBTL1 | |
| SCHEMBL11276722 | 0.73 | ELANE (0.39) | LMNAKMT2AMEN1NPC1KDM4E | |
| SCHEMBL32668832 | 0.72 | PKM (0.47) | LMNAKMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL14445127 | 0.72 | PKM (0.47) | LMNAKMT2AMEN1ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL31199080 | 0.71 | PKM (0.46) | LMNAKMT2AMEN1ALDH1A1HPGD |
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-5011993-A | Method for the preparation of α1 [[(1,1-dimethylethyl)amino]methyl]-4-hydroxy-1,3-benzenedimethanol | SCHERING CORPORATION (US) | 1991-04-30 | — | — | US | disclosed |
| US-4952729-A | Intermediates in the preparation of alpha1(((1,1-dimethylethyl) amino) methyl)-4-hydroxy-1,3-benzenedimethanol | SCHERING-PLOUGH CORP. (US) | 1990-08-28 | — | — | US | disclosed |