Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | CCR6 | P51684 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MITF | O75030 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | GALR2 | O43603 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | XBP1 | P17861 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL9988172 | 0.87 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL396778 | 0.85 | NPC1 (0.54) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL7591886 | 0.84 | NPC1 (0.50) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL10877588 | 0.84 | GPR35 (0.55) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL10803120 | 0.84 | MAPT (0.42) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL6626231 | 0.84 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNACCR6POLB | |
| SCHEMBL1465652 | 0.83 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL11282260 | 0.83 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL1886725 | 0.81 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 | |
| SCHEMBL9761593 | 0.80 | NPC1 (0.57) | ALDH1A1SMN1; SMN2LMNACCR6NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5672617-A | Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock | BAYER AKTIENGESELLSCHAFT (DE) | 1997-09-30 | — | — | US | disclosed |
| US-5510365-A | SUPPRESSION OF TUMOR NECROSIS FACTOR (TNFALPHA) ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 1996-04-23 | — | — | US | disclosed |