Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAD52 | P43351 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5610598 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL9765068 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL19972023 | 0.77 | HTT (0.41) | ALDH1A1MAPTHTTNOS3NOS1 | |
| SCHEMBL9853387 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL29611372 | 0.76 | ALDH1A1 (0.41) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL11139083 | 0.76 | CD44 (0.38) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL27685433 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL27685430 | 0.76 | SKP2 (0.37) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL24208205 | 0.74 | ALDH1A1 (0.40) | ALDH1A1TP53CYP3A4TSHRTDP1 | |
| SCHEMBL24632368 | 0.72 | ALDH1A1 (0.34) | ALDH1A1TP53CYP3A4TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022150574-A1 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |