Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | AHR | P35869 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR1E | P28566 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3601974 | 0.76 | ALDH1A1 (0.38) | LMNANPC1RAB9ATDO2NOTUM | |
| SCHEMBL9465196 | 0.74 | MAPT (0.46) | CYP1A2LMNANPC1RAB9ANOTUM | |
| SCHEMBL16719995 | 0.72 | HRH3 (0.50) | CYP2A6NPC1KDM4EALDH1A1 | |
| SCHEMBL3338127 | 0.71 | — | — | |
| SCHEMBL16720458 | 0.70 | CA2 (0.54) | — | |
| SCHEMBL16719655 | 0.66 | SIGMAR1 (0.36) | — | |
| SCHEMBL16720409 | 0.66 | KIF11 (0.50) | LMNANPC1RAB9AMAPTKDM4E | |
| SCHEMBL9467371 | 0.65 | CYP1A2 (0.32) | CYP1A2LMNAMAPTALDH1A1 | |
| SCHEMBL9465074 | 0.65 | CYP2A6 (0.41) | CYP2A6TDO2HTR1DHTR2B | |
| SCHEMBL16720028 | 0.65 | ATM (0.36) | CYP2A6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1068328-A | PYRROLOPYRAZINE | HOFFMANN LA ROCHE (CH) | 1993-01-27 | — | — | CN | disclosed |
| EP-0072013-B1 | PYRROLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS | MERCK & CO. INC. (US) | 1986-04-16 | — | — | EP | disclosed |
| US-4434175-A | 5-AROYL-PYRROLE ALKANOIC ACIDS | MERCK & CO., INC. (US) | 1984-02-28 | — | — | US | disclosed |
| EP-0072013-A1 | Pyrrole compounds as anti-inflammatory and analgesic agents | MERCK & CO. INC. (US) | 1983-02-16 | — | — | EP | disclosed |