Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL195066 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL30279310 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL29084626 | 0.91 | SMN1; SMN2 (0.57) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL28310549 | 0.89 | TSHR (0.46) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| Octanol SCHEMBL3281086 | 0.88 | ALDH1A1 (0.59) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL11395219 | 0.88 | ALDH1A1 (0.59) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL9150349 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL9068205 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL27603576 | 0.86 | ALDH1A1 (0.42) | ALDH1A1TSHRACHESMN1; SMN2LMNA | |
| O-Xylene SCHEMBL1802352 | 0.85 | ACHE (0.59) | ALDH1A1TSHRACHEKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4788277-A | OXIDATIVE COUPLING, CATALYST CONTAINING COPPER, DIAMINE, HALOGEN | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1988-11-29 | — | — | US | disclosed |