Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TACR1 | P25103 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.51 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3316114 | 0.84 | MAPK14 (0.56) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL31367847 | 0.83 | MAPK14 (0.74) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL14098981 | 0.81 | RAB9A (0.61) | NPC1RAB9ASMN1; SMN2MAPK14CYP1A2 | |
| SCHEMBL121338 | 0.77 | ESR2 (0.58) | GAAALDH1A1 | |
| SCHEMBL29707122 | 0.77 | ESR2 (0.58) | GAAALDH1A1 | |
| SCHEMBL3086445 | 0.77 | MAPK14 (0.73) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL23073633 | 0.77 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2MAPK14CYP1A2 | |
| SCHEMBL16600544 | 0.77 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL16600419 | 0.77 | ROCK1 (0.59) | MEN1KMT2AMAPK14GAAALDH1A1 | |
| SCHEMBL25690523 | 0.77 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2MAPK14ALDH1A1 |
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-3049390-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | Bayer Pharma Aktiengesellschaft (DE) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015044163-A1 | SUBSTITUTED PHENYLALANINE DERIVATIVES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-04-02 | — | — | WO | disclosed |