Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL11533429 | 0.83 | CYP2C9 (0.65) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL694352 | 0.82 | NPC1 (0.53) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL17979590 | 0.80 | NPC1 (0.59) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL3662909 | 0.79 | SMN1; SMN2 (0.71) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL2932295 | 0.79 | PTPN1 (0.73) | NPC1TSHRSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL12466491 | 0.78 | CYP1A2 (0.55) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL5932688 | 0.78 | CYP1A2 (0.55) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| Hydrogen Sulfide SCHEMBL10338701 | 0.77 | CYP2D6 (0.77) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8602062 | 0.77 | CYP2C9 (0.59) | NPC1CYP1A2CYP2D6CYP2C9TSHR | |
| Hydrogen Sulfide SCHEMBL28149656 | 0.77 | CYP2D6 (0.77) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105073768-A | Ras inhibitors and uses thereof | DANA FARBER CANCER INST INC | 2015-11-18 | — | — | CN | disclosed |