Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | PDE5A | O76074 | 2/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11280822 | 0.74 | ACP1 (0.33) | TSHRKMT2ACES2BCHECES1 | |
| SCHEMBL10795764 | 0.74 | ACP1 (0.33) | TSHRKMT2ACES2BCHECES1 | |
| SCHEMBL10795740 | 0.73 | TSHR (0.59) | TSHRKMT2AMEN1HTTHTR2C | |
| SCHEMBL10795719 | 0.73 | P2RX7 (0.36) | TSHRKMT2AMEN1HTT | |
| SCHEMBL10796131 | 0.71 | TSHR (0.54) | TSHRKMT2AMEN1LMNAHTT | |
| SCHEMBL10795848 | 0.65 | TSHR (0.46) | TSHRKMT2AMEN1LMNAHTT | |
| Hydrochloric Acid SCHEMBL11877009 | 0.64 | CASP3 (0.45) | TSHRKMT2ACES2BCHECES1 | |
| SCHEMBL10799549 | 0.63 | HTT (0.53) | TSHRKMT2ALMNAHTTPOLB | |
| SCHEMBL10795008 | 0.62 | GAA (0.54) | TSHRKMT2AMEN1HTTGAA | |
| SCHEMBL7558814 | 0.58 | CES2 (0.53) | KMT2ACES2BCHECES1MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4642345-A | BRONCHODILATOR AGENTS | MEAD JOHNSON & COMPANY (US) | 1987-02-10 | — | — | US | disclosed |
| US-4489078-A | Diazaheterocyclopurines used as anti-broncho spasmatics and vasodilators | MEAD JOHNSON & COMPANY (US) | 1984-12-18 | — | — | US | disclosed |
| US-4404380-A | BRONCHODILATORS, MEDIATOR RELEASE INHIBITORS, PHOSPHODIESTERASE INHIBITORS, AND VASODILATORS | MEAD JOHNSON & COMPANY (US) | 1983-09-13 | — | — | US | disclosed |
| US-4366156-A | Antiallergic methods using diazaheterocyclopurines | MEAD JOHNSON & COMPANY (US) | 1982-12-28 | — | — | US | disclosed |
| US-4298734-A | PHOSPHODIESTERASE INHIBITORS, BRONCHODILATORS, PERIPHERAL VASODILATORS | MEAD JOHNSON & COMPANY (US) | 1981-11-03 | — | — | US | disclosed |