Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 7/20 | 0.55 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.50 |
| ▸ | GUSB | P08236 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | ALPL | P05186 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.49 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8291063 | 0.77 | BTK (0.55) | BTKDCUN1D1NOTUMNPC1RAB9A | |
| SCHEMBL6748168 | 0.77 | BTK (0.55) | BTKDCUN1D1GUSBNPC1RAB9A | |
| SCHEMBL20265414 | 0.75 | PIM1 (0.41) | BTKGUSBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10671205 | 0.73 | NOTUM (0.54) | BTKNOTUM | |
| SCHEMBL4784523 | 0.71 | BTK (1.00) | BTKDCUN1D1NPC1RAB9ACYP1A2 | |
| SCHEMBL31546406 | 0.70 | FTO (0.49) | DCUN1D1NOTUMGUSBNPC1RAB9A | |
| SCHEMBL10944351 | 0.69 | NR1H2 (0.77) | DCUN1D1NOTUMGUSBNPC1RAB9A | |
| SCHEMBL5914302 | 0.68 | BTK (0.64) | BTKDCUN1D1NOTUMGUSBALPL | |
| SCHEMBL7598605 | 0.68 | NOTUM (0.50) | NOTUMGUSBCYP2D6HPGDTSHR | |
| SCHEMBL11627267 | 0.68 | CYP1A2 (0.56) | DCUN1D1NOTUMNPC1RAB9AALPL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3553052-A1 | 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER | Bayer AG (DE) | 2019-10-16 | — | — | EP | disclosed |
| EP-3553052-A1 | 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER | Bayer AG (DE) | 2019-10-16 | — | — | EP | disclosed |