Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 8/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7512549 | 0.99 | TBXA2R (0.44) | TBXA2RSMN1; SMN2OPRM1OPRK1MAPT | |
| Hydrochloric Acid SCHEMBL8037045 | 0.99 | TBXA2R (0.44) | TBXA2RSMN1; SMN2OPRM1OPRK1MAPT | |
| Hydrochloric Acid SCHEMBL7515917 | 0.84 | TBXA2R (0.47) | TBXA2RSMN1; SMN2OPRM1MAPTMEN1 | |
| SCHEMBL645736 | 0.82 | SMN1; SMN2 (0.64) | SMN1; SMN2OPRM1OPRK1MAPTMEN1 | |
| SCHEMBL7514000 | 0.82 | ALDH1A1 (0.51) | TBXA2RSMN1; SMN2OPRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7513995 | 0.81 | ALDH1A1 (0.50) | TBXA2RSMN1; SMN2OPRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7509696 | 0.80 | TBXA2R (0.42) | TBXA2RSMN1; SMN2OPRM1OPRK1MAPT | |
| Hydrochloric Acid SCHEMBL6478440 | 0.79 | BCHE (0.57) | MEN1KMT2ABCHE | |
| SCHEMBL7513639 | 0.79 | TBXA2R (0.49) | TBXA2RMAPTMEN1HTTKMT2A | |
| SCHEMBL18989984 | 0.78 | MTNR1A (0.48) | — |
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-0861250-B1 | AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE | ASTRAZENECA AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| US-6140322-A | Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 2000-10-31 | — | — | US | disclosed |
| US-5929085-A | Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase | ASTRA AKTIEBOLAG (SE) | 1999-07-27 | — | — | US | disclosed |