Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pimagedine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | THPO | P40225 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.35 |
| ▸ | LDHB | P07195 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KDM5C | P41229 | 1/20 | 0.35 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Pimagedine SCHEMBL27784772 | 1.00 | TSHR (0.50) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Pimagedine SCHEMBL6665719 | 1.00 | TSHR (0.50) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Pimagedine SCHEMBL40128 | 1.00 | — | — | |
| Pimagedine SCHEMBL28272894 | 0.97 | TSHR (0.47) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Pimagedine SCHEMBL3279095 | 0.97 | LMNA (0.53) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Oxalic Acid SCHEMBL507710 | 0.90 | TSHR (0.47) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Oxalic Acid SCHEMBL507712 | 0.90 | TSHR (0.47) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Pimagedine SCHEMBL1640210 | 0.89 | — | — | |
| Pimagedine SCHEMBL27920035 | 0.88 | CYP1A2 (0.40) | TSHRNFKB1CYP1A2MAOAMAOB | |
| Oxalic Acid SCHEMBL4946423 | 0.87 | TSHR (0.44) | TSHRNFKB1CYP1A2MAOAMAOB |
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-102093365-B | Method for producing 4-hydroxy-6-methyl-1,3,3a,7-tetraazaindene | XILONG CHEMICAL CO LTD | 2012-10-17 | — | — | CN | disclosed |
| WO-2012084999-A1 | PROKINETICIN 1 RECEPTOR AGONISTS AND THEIR USES | UNIVERSITE DE STRASBOURG (FR) | 2012-06-28 | — | — | WO | disclosed |
| CN-102093365-A | Method for producing 4-hydroxy-6-methyl-1,3,3a,7-tetraazaindene | XILONG CHEMICAL CO LTD | 2011-06-15 | — | — | CN | disclosed |
| US-4577018-A | 2,3-Diamino-substituted-4(3H)-pyrimidinones and platinum chelates | AMERICAN CYANAMID COMPANY (US) | 1986-03-18 | — | — | US | disclosed |