Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.41 |
| ▸ | CES2 | O00748 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | BLM | P54132 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | F10 | P00742 | 1/20 | 0.38 |
| ▸ | F12 | P00748 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL695035 | 0.74 | CES1 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL17600358 | 0.73 | ALDH1A1 (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL23978128 | 0.72 | F2 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL8840365 | 0.72 | MAPT (0.40) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1492635 | 0.72 | CES1 (0.57) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28158669 | 0.71 | SMN1; SMN2 (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL11658828 | 0.69 | ALDH1A1 (0.40) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL30586437 | 0.69 | CES1 (0.59) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL571023 | 0.69 | MAOA (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28877319 | 0.69 | CES1 (0.35) | CES1CES2ALDH1A1TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| US-5817819-A | GONADOTROPIN-RELEASING HORMONE ANTAGONIST | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-10-06 | — | — | US | disclosed |