Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.53 |
| ▸ | SCN1A | P35498 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.53 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.53 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.53 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12845735 | 0.96 | TSHR (0.66) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL10272591 | 0.94 | LTA4H (0.57) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL13849557 | 0.85 | KDM4E (0.64) | TSHRLMNACYP2D6KDM4EHTR2A | |
| SCHEMBL12845312 | 0.84 | CYP2D6 (0.69) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL11961176 | 0.84 | TSHR (0.61) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL13058286 | 0.84 | TSHR (0.57) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL4572943 | 0.83 | TSHR (0.60) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL1667163 | 0.83 | AXL (0.61) | TSHRLMNACYP2D6KDM4ETDP1 | |
| SCHEMBL300800 | 0.81 | LTA4H (0.72) | KDM4EALDH1A1SIGMAR1POLBLTA4H | |
| SCHEMBL14216877 | 0.81 | ALDH1A1 (0.64) | TSHRLMNACYP2D6KDM4ETDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7279469-B2 | Diaminotriazoles useful as inhibitors of protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-09 | — | — | US | disclosed |