Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | IDH2 | P48735 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8052100 | 0.96 | IDH1 (0.57) | IDH1ADORA1ADORA2ANPSR1CYP1A2 | |
| SCHEMBL23839453 | 0.84 | ADORA1 (0.49) | IDH1ADORA1ADORA2ANPSR1CYP1A2 | |
| SCHEMBL6269189 | 0.84 | NPSR1 (0.71) | IDH1ADORA1ADORA2ANPSR1NPC1 | |
| SCHEMBL13140035 | 0.81 | IDH1 (0.63) | IDH1NPSR1CYP1A2L3MBTL1NPC1 | |
| SCHEMBL15102377 | 0.81 | KCNH3 (0.56) | IDH1ADORA1ADORA2AIDH2POLB | |
| SCHEMBL29763360 | 0.81 | KCNH3 (0.56) | IDH1ADORA1ADORA2AIDH2POLB | |
| SCHEMBL18510329 | 0.80 | IDH2 (0.52) | CYP1A2L3MBTL1NPC1CYP2C19RAB9A | |
| SCHEMBL24303801 | 0.79 | LMNA (0.50) | ADORA1ADORA2ANPSR1CYP1A2CYP1A1 | |
| SCHEMBL7537505 | 0.79 | POLB (0.65) | IDH1NPSR1NPC1RAB9AMAPK1 | |
| SCHEMBL6978463 | 0.79 | TDP1 (0.57) | IDH1ADORA1ADORA2ACYP1A2CYP1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037886-B1 | TRIAZINE ANGIOGENESIS INHIBITORS | ABBOTT LAB (US) | 2003-05-02 | — | — | EP | claimed |
| US-6150362-A | ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES | ABBVIE INC. | 2000-11-21 | — | — | US | claimed |
| EP-1037886-B1 | TRIAZINE ANGIOGENESIS INHIBITORS | ABBOTT LAB (US) | 2003-05-02 | — | — | EP | disclosed |
| US-6288228-B1 | DIAMINOTRIAZINE DERIVATIVES | ABBOTT LABORATORIES | 2001-09-11 | — | — | US | disclosed |
| US-6150362-A | ADMINISTERING 1,3,5-SUBSTITUTED TRIAZINE COMPOUNDS TO THE PATIENT SUFFERING FROM ANGIOGENIC DISEASES | ABBVIE INC. | 2000-11-21 | — | — | US | disclosed |