Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | JUN | P05412 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HTR6 | P50406 | 2/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9401745 | 0.92 | NPC1 (0.39) | NPC1TDP1JUNHIF1AEPAS1 | |
| SCHEMBL9401823 | 0.86 | KDM4E (0.42) | SLC6A4CYP3A4NR1I2LMNACYP1A2 | |
| SCHEMBL9401798 | 0.84 | LMNA (0.40) | CYP3A4HTR6NR1I2LMNACYP1A2 | |
| SCHEMBL11982876 | 0.81 | CYP3A4 (0.49) | SLC6A4TDP1HIF1ACYP3A4NR1I2 | |
| SCHEMBL9318482 | 0.81 | CYP3A4 (0.49) | SLC6A4TDP1HIF1ACYP3A4NR1I2 | |
| SCHEMBL11982878 | 0.81 | CYP3A4 (0.49) | SLC6A4TDP1HIF1ACYP3A4NR1I2 | |
| SCHEMBL10491401 | 0.80 | SLC6A4 (0.39) | SLC6A4HTR6AKR1C3AKR1C2AKR1C4 | |
| SCHEMBL9401622 | 0.80 | CYP3A4 (0.37) | SLC6A4CYP3A4NR1I2LMNACYP1A2 | |
| SCHEMBL9401850 | 0.78 | MCHR1 (0.38) | CYP3A4NR1I2LMNACYP1A2CYP2D6 | |
| SCHEMBL9664041 | 0.78 | NR1I2 (0.37) | CYP3A4HTR6NR1I2LMNACYP1A2 |
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-5332748-A | Antiischemic, antianoxic | ROUSSEL-UCLAF (FR) | 1994-07-26 | — | — | US | disclosed |
| US-5093337-A | SUBSTITUTED DERIVATIVES OF 20,21-DINOREBURNAMENINE, THEIR USE AS MEDICAMENTS AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL UCLAF (FR) | 1992-03-03 | — | — | US | disclosed |