Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | FPR1 | P21462 | 2/20 | 0.41 |
| ▸ | FPR2 | P25090 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 4/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3456314 | 0.90 | TP53 (0.51) | TP53ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL2210350 | 0.81 | NOTUM (0.61) | ALDH1A1KMT2AHPGDNOTUMSMN1; SMN2 | |
| SCHEMBL23312349 | 0.76 | FPR1 (0.45) | TP53ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL10270537 | 0.74 | TSHR (0.75) | TP53ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL4286559 | 0.74 | NOTUM (0.62) | TP53ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL3128299 | 0.74 | TP53 (0.49) | TP53ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL14578480 | 0.72 | DRD2 (0.42) | ALDH1A1TSHRMEN1KMT2AUSP2 | |
| SCHEMBL21425395 | 0.71 | CYP11B1 (0.48) | TP53FPR1FPR2MAPTNOTUM | |
| SCHEMBL3457235 | 0.71 | NOTUM (0.65) | TP53ALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL20941553 | 0.70 | TP53 (0.51) | TP53ALDH1A1MEN1KMT2AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2250165-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | Merck Serono S.A. (CH) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009080663-A1 | TRIAZOLE OXADIAZOLES DERIVATIVES | MERCK SERONO S.A. (CH) | 2009-07-02 | — | — | WO | disclosed |
| EP-1945626-A1 | IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007024944-A1 | IMIDAZOLE DERIVATIVES AS FUNCTIONALLY SELECTIVE ALPHA2C ADRENORECEPTOR AGONISTS | SCHERING CORPORATION (US) | 2007-03-01 | — | — | WO | disclosed |