Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17678391 | 0.86 | ALDH1A1 (0.71) | ALDH1A1NPSR1HCAR3TSHRTDP1 | |
| SCHEMBL1594633 | 0.85 | MAPT (0.56) | ALDH1A1NPSR1HDAC1HCAR3TSHR | |
| SCHEMBL26324521 | 0.84 | HCAR3 (0.63) | ALDH1A1NPSR1HCAR3SMN1; SMN2MAPT | |
| SCHEMBL11316660 | 0.84 | ALDH1A1 (0.53) | ALDH1A1NPSR1HDAC1HCAR3TSHR | |
| SCHEMBL2952066 | 0.82 | MAPT (0.65) | ALDH1A1HCAR3TDP1SMN1; SMN2MAPT | |
| SCHEMBL17678256 | 0.81 | SMN1; SMN2 (0.67) | ALDH1A1NPSR1HCAR3TSHRTDP1 | |
| SCHEMBL594213 | 0.81 | HCAR3 (0.61) | ALDH1A1HCAR3MAPTKAT2BPKM | |
| SCHEMBL8985609 | 0.80 | KAT2B (0.57) | ALDH1A1NPSR1HDAC1TDP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9776289 | 0.79 | ALDH1A1 (0.59) | ALDH1A1NPSR1HDAC1HCAR3TSHR | |
| SCHEMBL29670495 | 0.79 | ALDH1A1 (0.62) | ALDH1A1HCAR3TSHRTDP1SMN1; SMN2 |
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-2013066832-A1 | COMPOUNDS AND METHODS | GLAXOSMITHKLINE LLC (US) | 2013-05-10 | — | — | WO | disclosed |