Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ATR | Q13535 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.30 |
| ▸ | F11 | P03951 | 1/20 | 0.30 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL934980 | 0.86 | ACHE (0.54) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL3906649 | 0.86 | ALDH1A1 (0.46) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL15533970 | 0.86 | ACHE (0.54) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL5747984 | 0.86 | ALDH1A1 (0.46) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetamide SCHEMBL5567520 | 0.83 | ACHE (0.40) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL28310592 | 0.83 | LDHA (0.44) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL5273873 | 0.82 | ALDH1A1 (0.40) | TSHRACHEALDH1A1L3MBTL1LDHA | |
| Trifluoroacetic Acid SCHEMBL7819687 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL9287813 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL507990 | 0.82 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005051380-A1 | SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | claimed |
| WO-2005051381-A1 | Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |
| WO-2005051380-A1 | SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | disclosed |