Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.54 |
| ▸ | AVPR1A | P37288 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.43 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | TYMS | P04818 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041706 | 0.90 | AVPR1A (0.56) | HCAR2AVPR1AALDH1A1TP53CFTR | |
| SCHEMBL9037531 | 0.89 | AVPR1A (0.52) | HCAR2AVPR1AALDH1A1TP53CFTR | |
| SCHEMBL11469237 | 0.75 | HCAR2 (0.52) | HCAR2AVPR1AALDH1A1TP53TDP1 | |
| SCHEMBL31387413 | 0.75 | HCAR2 (0.52) | HCAR2AVPR1AALDH1A1TP53TDP1 | |
| SCHEMBL17605458 | 0.75 | HCAR2 (0.52) | HCAR2AVPR1AALDH1A1TP53TDP1 | |
| SCHEMBL9039874 | 0.73 | SIGMAR1 (0.47) | AVPR1ASIGMAR1 | |
| SCHEMBL9038970 | 0.73 | CYP3A4 (0.46) | AVPR1AALDH1A1LMNANPSR1CYP3A4 | |
| SCHEMBL9037721 | 0.72 | SIGMAR1 (0.46) | AVPR1ASIGMAR1 | |
| SCHEMBL9851214 | 0.72 | KDM1A (0.46) | HCAR2AVPR1ATSHRSIGMAR1 | |
| SCHEMBL9039898 | 0.72 | AVPR1A (0.39) | AVPR1AALDH1A1TP53CFTRGOPC |
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 |
|---|---|---|---|---|---|---|---|
| EP-0441598-B1 | Spiroisoindole compounds | ZENECA INC (US) | 1996-09-04 | — | — | EP | disclosed |
| US-5098925-A | Neurological disorders in mammals | ICI AMERICAS INC. (US) | 1992-03-24 | — | — | US | disclosed |
| EP-0441598-A2 | Spiroisoindole compounds | ZENECA INC. (US) | 1991-08-14 | — | — | EP | disclosed |