Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6206489 | 0.90 | NPC1 (0.45) | TSHRELANENPC1RAB9ACES2 | |
| SCHEMBL28760907 | 0.88 | TSHR (0.46) | TSHRELANECYP1A2NPC1RAB9A | |
| SCHEMBL4454902 | 0.80 | MEN1 (0.54) | CYP1A2NPC1RAB9ASMN1; SMN2NLRP3 | |
| SCHEMBL6204762 | 0.79 | ELANE (0.53) | TSHRELANECYP1A2CES2CES1 | |
| SCHEMBL6188496 | 0.78 | CES1 (0.39) | ELANERAB9ACES1ALDH1A1MAPT | |
| SCHEMBL9846387 | 0.77 | TDP1 (0.49) | RAB9AALDH1A1MAPTTDP1GAA | |
| SCHEMBL9846357 | 0.77 | KMT2A (0.41) | TSHRELANECYP1A2NPC1RAB9A | |
| SCHEMBL10642799 | 0.76 | TSHR (0.44) | TSHRELANECYP1A2NPC1RAB9A | |
| SCHEMBL9846395 | 0.76 | MAPT (0.39) | TSHRELANECYP1A2SMN1; SMN2MAPT | |
| SCHEMBL1145279 | 0.75 | ELANE (0.51) | ELANECYP1A2NPC1RAB9ACES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1532128-A1 | INHIBITORS OF HCV NS5B POLYMERASE | Pharmacia & Upjohn Company LLC (US) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004002977-A1 | INHIBITORS OF HCV NS5B POLYMERASE | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-01-08 | — | — | WO | disclosed |