Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | CA7 | P43166 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 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 | |
|---|---|---|---|---|
| SCHEMBL5198591 | 0.78 | NFKB1 (0.44) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL27553134 | 0.77 | CYP2C9 (0.42) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL4109572 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL30175300 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL10457353 | 0.75 | ALDH1A1 (0.54) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL853286 | 0.75 | CHRNB4 (0.40) | — | |
| SCHEMBL29733695 | 0.74 | ALDH1A1 (0.48) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL23064521 | 0.74 | CYP2C9 (0.41) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| SCHEMBL1925255 | 0.73 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL29705669 | 0.73 | ALDH1A1 (0.52) | ALDH1A1ALOX15CYP2C9SMN1; SMN2KDM4E |
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-5739396-A | CHIRAL COMPOUND COMPRISING CHIRAL BACKBONE TO WHICH IS BOUND TWO OR THREE METAL BINDING MOIETIES | STANFORD UNIVERSITY (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1993012260-A2 | ASYMMETRIC LIGANDS USEFUL FOR TRANSITION METAL CATALYZED BOND FORMING REACTIONS | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIO (US) | 1993-06-24 | — | — | WO | disclosed |