Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEP1A | Q16819 | 1/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.34 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 4/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL27616842 | 0.83 | TDP1 (0.46) | MEP1AMEP1BGLAGSK3BCYP1A1 | |
| SCHEMBL6406759 | 0.79 | CYP1A2 (0.45) | TSHRMEP1AMEP1BCYP1A2PTGES | |
| SCHEMBL132043 | 0.78 | MEP1A (0.53) | TRPA1ALDH1A1TSHRMEP1AMEP1B | |
| SCHEMBL5158276 | 0.78 | TSHR (0.46) | TSHRMEP1AMEP1BGLAFFAR1 | |
| SCHEMBL29976533 | 0.78 | TRPA1 (0.42) | TRPA1ALDH1A1TSHRMEP1AMEP1B | |
| SCHEMBL910601 | 0.78 | MGLL (0.43) | ALDH1A1GLACYP1A2MEN1KMT2A | |
| SCHEMBL2838377 | 0.78 | PNMT (0.48) | ALDH1A1TSHRCYP1A2CYP3A4 | |
| SCHEMBL19806071 | 0.78 | TRPA1 (0.42) | TRPA1ALDH1A1TSHRMEP1AMEP1B | |
| SCHEMBL29393429 | 0.78 | MEP1A (0.53) | TRPA1ALDH1A1TSHRMEP1AMEP1B | |
| SCHEMBL10490628 | 0.78 | GLA (0.35) | MEP1AMEP1BGLAFFAR1MEN1 |
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-0894088-A4 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE POULENC RORER PHARMA (US) | 2001-12-05 | — | — | EP | disclosed |
| EP-0894088-A1 | SUBSTITUTED SULFONIC ACID N- (AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) | 1999-02-03 | — | — | EP | disclosed |
| WO-1998024784-A1 | SUBSTITUTED SULFONIC ACID N-[(AMINOIMINOMETHYL)PHENYLALKYL]-AZAHETEROCYCLAMIDE COMPOUNDS | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1998-06-11 | — | — | WO | disclosed |