Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | DRD4 | P21917 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10614877 | 0.87 | ATM (0.60) | ATMPKMCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11287194 | 0.85 | POLB (0.42) | ATMPKMCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11277754 | 0.85 | ATM (0.47) | ATMTAAR1PKMCYP1A2CYP3A4 | |
| SCHEMBL11267001 | 0.84 | NLRP3 (0.37) | ATMKMT2AL3MBTL1ALDH1A1GAA | |
| SCHEMBL6695373 | 0.82 | ATM (0.51) | ATMTAAR1PKMCYP1A2CYP3A4 | |
| SCHEMBL11284491 | 0.81 | CACNA1C (0.39) | KMT2APOLBALDH1A1MEN1 | |
| SCHEMBL11277149 | 0.78 | GAA (0.50) | S1PR2S1PR4KMT2AALDH1A1MEN1 | |
| SCHEMBL11252206 | 0.78 | ATM (0.50) | ATMPKMCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11284346 | 0.78 | POLB (0.47) | ATMPKMCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11251266 | 0.76 | ALDH1A1 (0.44) | ATMPKMCYP1A2CYP3A4CYP2C19 |
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-4326075-A | ANTIDIARRHEA AGENTS | WILLIAM H. RORER, INC. (US) | 1982-04-20 | — | — | US | disclosed |
| US-4203920-A | ANTIDIARRHEAL | WILLIAM H. RORER, INC. (US) | 1980-05-20 | — | — | US | disclosed |
| US-4147804-A | ANTIARRHYTHMIA AGENTS | WILLIAM H. RORER, INC. (US) | 1979-04-03 | — | — | US | disclosed |
| US-4060635-A | Amidinoureas for treating diarrhea | WILLIAM H. RORER, INC. (US) | 1977-11-29 | — | — | US | disclosed |