Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6922449 | 0.76 | RAB9A (0.36) | ALDH1A1TDP1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9211218 | 0.73 | MGLL (0.38) | ALDH1A1MGLLLMNA | |
| SCHEMBL6829475 | 0.70 | TSHR (0.42) | ALDH1A1TDP1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL30599160 | 0.68 | ALDH1A1 (0.41) | ALDH1A1TDP1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL9549749 | 0.67 | IDO1 (0.49) | ALDH1A1RAB9ASMN1; SMN2MAPTMGLL | |
| SCHEMBL29547299 | 0.66 | CHRNB2 (0.54) | ALDH1A1RAB9ANPC1MAPTHPGD | |
| SCHEMBL1923172 | 0.65 | ALDH1A1 (0.37) | ALDH1A1TDP1RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL7435136 | 0.65 | ALDH1A1 (0.31) | ALDH1A1TDP1MAPT | |
| SCHEMBL8890531 | 0.64 | AMY1A (0.40) | RAB9ASMN1; SMN2CNR1ACHECNR2 | |
| SCHEMBL7831019 | 0.64 | KCNH2 (0.43) | ALDH1A1TDP1MAPTESPL1CYP19A1 |
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-1993002057-A1 | RETROVIRAL PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-02-04 | — | — | WO | disclosed |