Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | HTR1D | P28221 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL21324872 | 0.75 | DAO (0.42) | HTR1D | |
| SCHEMBL24349990 | 0.74 | LMNA (0.34) | HPGDLMNA | |
| SCHEMBL22751121 | 0.74 | HRH3 (0.40) | HTR1DHCAR2 | |
| SCHEMBL21536124 | 0.70 | — | — | |
| SCHEMBL891125 | 0.69 | HMBS (0.46) | GABRA1GABRB2PKMALDH1A1HPGD | |
| SCHEMBL2704151 | 0.67 | GABRA1 (0.40) | GABRA1GABRB2PKMALDH1A1HPGD | |
| SCHEMBL21719649 | 0.65 | GABRA1 (0.33) | GABRA1GABRB2PKMALDH1A1HPGD | |
| SCHEMBL23987231 | 0.65 | GABRA1 (0.33) | GABRA1GABRB2PKMALDH1A1HPGD | |
| SCHEMBL21719660 | 0.65 | GABRA1 (0.33) | GABRA1GABRB2PKMALDH1A1HPGD | |
| SCHEMBL19656676 | 0.65 | GABRA1 (0.33) | GABRA1GABRB2PKMALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022078305-A1 | HETEROCYCLIC DERIVATIVE AND MEDICAL APPLICATION THEREOF | 四川海思科制药有限公司 | 2022-04-21 | — | — | WO | disclosed |
| US-6441194-B1 | TWO STEP, ONE POT ALKYLATION IN PRESENCE OF BRONSTEAD ACID CATALYST; REACTING PYRROLE-2-CARBALDEHYDE WITH VILSMEIR REAGENT, SUCH AS OXALYL CHLORIDE AND DIMETHYLFORAMIDE, THEN ALKYLATING AGENT, SUCH AS TERTBUTYL CHORIDE | EMORY UNIVERSITY | 2002-08-27 | — | — | US | disclosed |
| WO-2001028997-A2 | SYNTHESIS OF 4-SUBSTITUTED PYRROLE-2-CARBALDEHYDE COMPOUNDS | EMORY UNIVERSITY (US) | 2001-04-26 | — | — | WO | disclosed |