Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5511341 | 0.76 | POLB (0.38) | ALDH1A1CYP2C9TSHRRAB9ACA2 | |
| SCHEMBL11399646 | 0.74 | MCHR1 (0.54) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL8575653 | 0.72 | MCHR1 (0.55) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL3660208 | 0.71 | CA1 (0.34) | RAB9ACA2CA1RORCCA12 | |
| SCHEMBL5189320 | 0.71 | CA2 (0.61) | ALDH1A1LMNACYP2C9TDP1CA2 | |
| SCHEMBL16265420 | 0.71 | EGFR (0.56) | ALDH1A1LMNATSHRTDP1POLB | |
| SCHEMBL23876926 | 0.70 | ALDH1A1 (0.61) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL6420039 | 0.70 | ALDH1A1 (0.47) | ALDH1A1LMNAALBCYP2C9TSHR | |
| SCHEMBL3225775 | 0.70 | CNR2 (0.46) | ALDH1A1LMNATDP1RAB9ANPC1 | |
| SCHEMBL692083 | 0.69 | LMNA (0.64) | ALDH1A1LMNAALBCYP2C9TSHR |
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-1807078-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | Vitae Pharmaceuticals, Inc. (US) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006042150-A1 | DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2006-04-20 | — | — | WO | disclosed |