Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.69 |
| ▸ | POLB | P06746 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | TRPC4 | Q9UBN4 | 2/20 | 0.58 |
| ▸ | TRPC5 | Q9UL62 | 2/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 5/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL16027839 | 0.93 | TRPC5 (0.67) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL16076170 | 0.89 | TSHR (0.70) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL16028451 | 0.88 | RAB9A (0.69) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL16028762 | 0.87 | TSHR (0.65) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL16076165 | 0.87 | TSHR (0.68) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL18834914 | 0.87 | TP53 (0.58) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL16029542 | 0.87 | ALDH1A1 (0.70) | TSHRPOLBRAB9ALMNANPSR1 | |
| SCHEMBL16028277 | 0.85 | TSHR (0.62) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL18833883 | 0.84 | TSHR (0.62) | TSHRPOLBRAB9ATRPC4TRPC5 | |
| SCHEMBL27411457 | 0.84 | ALDH1A1 (0.58) | TSHRPOLBRAB9ATRPC4TRPC5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2970303-B9 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-09-20 | — | — | EP | disclosed |
| EP-2970303-B1 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2017-05-10 | — | — | EP | disclosed |
| WO-2014143799-A9 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2014-12-24 | — | — | WO | disclosed |