Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CPA1 | P15085 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.37 |
| ▸ | NOS1 | P29475 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21439149 | 1.00 | TP53 (0.61) | TP53TSHRTRPA1MAOAMAOB | |
| SCHEMBL225582 | 0.83 | TSHR (0.66) | TP53TSHRLMNAKMT2A | |
| SCHEMBL31412811 | 0.83 | TSHR (0.66) | TP53TSHRLMNAKMT2A | |
| SCHEMBL31412800 | 0.81 | TP53 (0.63) | TP53TSHRHPGDIDO1KMT2A | |
| SCHEMBL5872655 | 0.81 | TSHR (0.63) | TP53TSHRHPGDLMNAKMT2A | |
| SCHEMBL227153 | 0.81 | TP53 (0.63) | TP53TSHRHPGDIDO1KMT2A | |
| SCHEMBL13893739 | 0.80 | MEN1 (0.46) | TP53TSHRTRPA1HPGDKMT2A | |
| SCHEMBL14457239 | 0.79 | TP53 (0.47) | TP53TSHRMAOBIDO1 | |
| SCHEMBL17550074 | 0.79 | TSHR (0.61) | TP53TSHRLOXL2TAAR1 | |
| SCHEMBL13889195 | 0.79 | TP53 (0.61) | TP53TSHRTAAR1 |
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-2401269-A1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010099039-A1 | INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-09-02 | — | — | WO | disclosed |