Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10433694 | 0.84 | HIF1A (0.49) | HIF1AHPGDPOLBPANK3 | |
| SCHEMBL10305139 | 0.83 | HIF1A (0.41) | HIF1AALDH1A1HPGDCYP1A2MAPT | |
| SCHEMBL16333221 | 0.75 | KLRK1 (0.39) | ALDH1A1HPGDCYP1A2MAPTCYP2C9 | |
| SCHEMBL19632849 | 0.74 | UGCG (0.42) | ALDH1A1HPGDCYP1A2MAPTCYP2C9 | |
| SCHEMBL11835991 | 0.73 | DPP4 (0.45) | HIF1AALDH1A1HPGDMAPTKMT2A | |
| SCHEMBL12352643 | 0.72 | SLC6A2 (0.45) | ALDH1A1HPGDCYP1A2MAPTCYP2C9 | |
| SCHEMBL18390257 | 0.70 | MEN1 (0.50) | ALDH1A1HPGDKMT2ARAB9ANPC1 | |
| SCHEMBL15279364 | 0.69 | GRIN2B (0.43) | ALDH1A1HPGDCYP1A2MAPTCYP2C9 | |
| SCHEMBL20810420 | 0.69 | DPP4 (0.53) | ALDH1A1MAPTKMT2A | |
| SCHEMBL21159094 | 0.69 | POLB (0.57) | ALDH1A1MAPTCYP2C19KMT2APOLB |
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-2012041014-A1 | TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |