Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.33 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL11547294 | 1.00 | TSHR (0.39) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL10948262 | 0.82 | TDP1 (0.47) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL10948272 | 0.82 | TDP1 (0.47) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL4258145 | 0.79 | TSHR (0.37) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL4258148 | 0.79 | TSHR (0.37) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL31534046 | 0.79 | TSHR (0.37) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL7006751 | 0.76 | TSHR (0.34) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL7006753 | 0.76 | TSHR (0.34) | TSHRCHRM2CHRM4CHRM1TBXA2R | |
| SCHEMBL29275508 | 0.73 | GALR3 (0.37) | ALDH1A1GALR3 | |
| SCHEMBL28655932 | 0.73 | TSHR (0.33) | TSHRCHRM2CHRM4CHRM1TBXA2R |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160865-A | Asymmetric synthesis | HOFFMANN-LA ROCHE INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4151360-A | Optically active amine salts | HOFFMANN-LA ROCHE INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4102909-A | Optically active esters and amides | HOFFMANN-LA ROCHE INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4094892-A | CLAISEN REARRANGEMENT | HOFFMANN-LA ROCHE INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4045475-A | Optically active alcohols and lower esters thereof | HOFFMANN-LA ROCHE INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4000169-A | ASYMMETRIC SYNTHESIS OF OPTICALLY ACTIVE COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1976-12-28 | — | — | US | disclosed |