Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | FSCN1 | Q16658 | 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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL27382645 | 0.82 | ALDH1A1 (0.65) | TSHRLMNAALDH1A1MAPTACHE | |
| Hydrochlorthiazide SCHEMBL27670045 | 0.82 | TSHR (0.65) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| Hydrochlorthiazide SCHEMBL27682551 | 0.82 | TSHR (0.46) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| 3-Nitroaniline SCHEMBL27496538 | 0.82 | ALDH1A1 (0.65) | TSHRLMNAALDH1A1KMT2AMAPT | |
| Hydrochlorthiazide SCHEMBL27558968 | 0.81 | NPC1 (0.50) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| Nitrobenzene SCHEMBL27321664 | 0.81 | ALDH1A1 (0.57) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL29990470 | 0.80 | TSHR (0.70) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL12444136 | 0.80 | TSHR (0.70) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL248013 | 0.80 | TSHR (0.70) | TSHRLMNAALDH1A1KMT2AMEN1 | |
| Nitrobenzene SCHEMBL29287493 | 0.80 | ALDH1A1 (0.55) | TSHRLMNAALDH1A1KMT2AMEN1 |
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-101072775-A | Novel mch receptor antagonists | LILLY CO ELI (US) | 2007-11-14 | — | — | CN | disclosed |