Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 9/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092784 | 1.00 | AKR1C3 (0.47) | AKR1C3APEX1TSHRLMNACYP1A2 | |
| SCHEMBL7820417 | 0.82 | AKR1C3 (0.53) | AKR1C3APEX1TSHRLMNACYP1A2 | |
| SCHEMBL7820420 | 0.82 | AKR1C3 (0.53) | AKR1C3APEX1TSHRLMNACYP1A2 | |
| SCHEMBL1805524 | 0.79 | AKR1C3 (0.46) | AKR1C3APEX1TSHRNOTUM | |
| SCHEMBL3958270 | 0.79 | AKR1C3 (0.46) | AKR1C3APEX1TSHRNOTUM | |
| SCHEMBL124240 | 0.77 | AKR1C3 (0.45) | AKR1C3APEX1 | |
| SCHEMBL124241 | 0.77 | AKR1C3 (0.45) | AKR1C3APEX1 | |
| SCHEMBL17651830 | 0.77 | CAPN1 (0.43) | — | |
| SCHEMBL17651831 | 0.77 | CAPN1 (0.43) | — | |
| SCHEMBL9116815 | 0.77 | AKR1C3 (0.47) | AKR1C3APEX1TSHRLMNACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1309551-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002014273-A1 | INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-02-21 | — | — | WO | disclosed |