Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | TNF | P01375 | 2/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.43 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.43 |
| ▸ | F11 | P03951 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3457121 | 0.90 | TP53 (0.45) | TP53CYP11B1CYP11B2TSHRMEN1 | |
| SCHEMBL3128299 | 0.83 | TP53 (0.49) | TP53CYP11B1CYP11B2TSHRMEN1 | |
| SCHEMBL4286559 | 0.83 | NOTUM (0.62) | TP53TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL21425395 | 0.81 | CYP11B1 (0.48) | TP53CYP11B1CYP11B2TNFNOD1 | |
| SCHEMBL3457235 | 0.81 | NOTUM (0.65) | TP53CYP11B1CYP11B2MEN1KMT2A | |
| SCHEMBL20941553 | 0.79 | TP53 (0.51) | TP53MEN1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL3129984 | 0.77 | CA12 (0.60) | TP53CYP11B1CYP11B2TNFNOD1 | |
| SCHEMBL4284878 | 0.76 | NOTUM (0.49) | TP53CYP11B1CYP11B2TSHRMEN1 | |
| SCHEMBL10270537 | 0.75 | TSHR (0.75) | TP53TSHRMEN1KMT2AALDH1A1 | |
| SCHEMBL13656966 | 0.74 | GPR119 (0.47) | TP53CYP11B1CYP11B2TNFNOD1 |
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-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 |