Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | CLPP | Q16740 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10798398 | 1.00 | TSHR (0.38) | TSHRALDH1A1MEN1CYP1A2MAPT | |
| SCHEMBL11282584 | 0.84 | TSHR (0.35) | TSHRALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL11282580 | 0.84 | TSHR (0.35) | TSHRALDH1A1MEN1KMT2ATP53 | |
| SCHEMBL10797980 | 0.74 | TSHR (0.43) | TSHRALDH1A1MAPTTP53CNR1 | |
| SCHEMBL10795887 | 0.72 | LMNA (0.35) | TSHRALDH1A1MEN1CYP1A2KMT2A | |
| SCHEMBL10795455 | 0.67 | TSHR (0.44) | TSHRALDH1A1MAPTCYP2C9TP53 | |
| SCHEMBL10801005 | 0.64 | TSHR (0.48) | TSHRTP53GAACLPPHTT | |
| SCHEMBL10800858 | 0.62 | TSHR (0.33) | TSHR | |
| SCHEMBL10795740 | 0.59 | TSHR (0.59) | TSHRMEN1KMT2ATP53GAA | |
| SCHEMBL11089172 | 0.57 | ADORA2A (0.36) | TSHRALDH1A1CYP1A2CLPP |
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 4 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 |