Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4970440 | 0.80 | CYP2C19 (0.36) | CYP2C19MEN1KMT2AALDH1A1POLB | |
| SCHEMBL16055688 | 0.74 | ALDH1A1 (0.37) | CYP2C19MEN1KMT2AALDH1A1POLB | |
| SCHEMBL28333138 | 0.74 | ALDH1A1 (0.37) | CYP2C19MEN1KMT2AALDH1A1POLB | |
| SCHEMBL28324607 | 0.74 | ALDH1A1 (0.37) | CYP2C19MEN1KMT2AALDH1A1POLB | |
| SCHEMBL4971697 | 0.73 | MAPT (0.36) | EPHX1TSHRCYP1A2CYP2D6MAPT | |
| SCHEMBL4971486 | 0.73 | MAPT (0.36) | EPHX1TSHRCYP1A2CYP2D6MAPT | |
| SCHEMBL5316108 | 0.72 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL5315904 | 0.72 | ALDH1A1 (0.35) | MEN1KMT2AALDH1A1TSHRMAPT | |
| SCHEMBL5318676 | 0.72 | ALDH1A1 (0.37) | ALDH1A1TSHRMAPTLMNA | |
| SCHEMBL4971119 | 0.71 | ALDH1A1 (0.35) | ALDH1A1 |
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-1966139-A1 | ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2008-09-10 | — | — | EP | disclosed |
| WO-2007070201-A1 | ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |