Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29951221 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL415792 | 0.82 | ALDH1A1 (0.60) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL1802351 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL28003371 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL19924976 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL1135905 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL30367918 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL10885936 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| SCHEMBL28248465 | 0.81 | ALDH1A1 (0.63) | ALDH1A1TSHRHPGDHTTL3MBTL1 | |
| Bromide SCHEMBL28506426 | 0.79 | ALDH1A1 (0.56) | ALDH1A1TSHRHPGDHTTL3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1364155-A | N-Cyanomethyl amides as protease inhibitors | AXYS PHARM INC (US) | 2002-08-14 | — | — | CN | claimed |
| CN-1364155-A | N-Cyanomethyl amides as protease inhibitors | AXYS PHARM INC (US) | 2002-08-14 | — | — | CN | disclosed |