Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 3/20 | 0.34 |
| ▸ | CREBBP | Q92793 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 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 | |
|---|---|---|---|---|
| SCHEMBL19783166 | 0.82 | EPHX2 (0.37) | EPHX2MMP12BRD4CREBBPRAB9A | |
| SCHEMBL18426425 | 0.82 | ALDH1A1 (0.45) | KMT2AEPHX2MMP12BRD4CREBBP | |
| SCHEMBL29481730 | 0.82 | ALDH1A1 (0.45) | KMT2AEPHX2MMP12BRD4CREBBP | |
| SCHEMBL8873934 | 0.79 | CA12 (0.36) | KMT2AEPHX2CA12CA1CA2 | |
| SCHEMBL31170762 | 0.74 | CREBBP (0.57) | CA12CA1CA2CA4CA7 | |
| SCHEMBL19776457 | 0.74 | CMA1 (0.34) | EPHX2BRD4CREBBPCYP11B1CYP11B2 | |
| SCHEMBL17348364 | 0.72 | CYP11B1 (0.42) | KMT2AEPHX2MMP12RAB9ASMN1; SMN2 | |
| SCHEMBL30509208 | 0.72 | EPHX2 (0.51) | EPHX2CA12CA1CA2CA4 | |
| SCHEMBL12672111 | 0.72 | EPHX2 (0.51) | EPHX2CA12CA1CA2CA4 | |
| SCHEMBL30509174 | 0.72 | EPHX2 (0.51) | EPHX2CA12CA1CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |