Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2580354 | 1.00 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19RAB9A | |
| SCHEMBL29952816 | 0.79 | IDO1 (0.54) | SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL1886630 | 0.79 | IDO1 (0.54) | SMN1; SMN2CYP1A2CYP2C19RAB9ANPC1 | |
| SCHEMBL29953521 | 0.79 | IDO1 (0.48) | ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL10168080 | 0.76 | PYCR1 (0.42) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19P2RX7 | |
| SCHEMBL29956866 | 0.75 | PSEN1 (0.40) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL18263307 | 0.75 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19RAB9A | |
| SCHEMBL531667 | 0.74 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19RAB9A | |
| SCHEMBL8290760 | 0.74 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19RAB9A | |
| SCHEMBL2764669 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP1A2CYP2C19RAB9A |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |