Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.61 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.61 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.61 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.47 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.47 |
| ▸ | ELANE | P08246 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
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 SCHEMBL2458653 | 0.98 | PRSS1 (0.59) | PRSS1PRSS2PRSS3CES2CES1 | |
| SCHEMBL3731767 | 0.86 | TP53 (0.50) | PRSS1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL13108721 | 0.85 | DGAT1 (0.52) | NPC1MAPTALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3138169 | 0.84 | PRSS1 (0.50) | PRSS1SMN1; SMN2MAPTALDH1A1MEN1 | |
| SCHEMBL3736270 | 0.83 | AKR1C3 (0.54) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL3138053 | 0.81 | SMN1; SMN2 (0.49) | PRSS1PRSS2PRSS3NPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL1825446 | 0.81 | PRSS1 (0.65) | PRSS1PRSS2PRSS3CES2CES1 | |
| Hydrochloric Acid SCHEMBL3736269 | 0.81 | AKR1C3 (0.53) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1248647 | 0.81 | SMN1; SMN2 (0.65) | CES2CES1NPC1RAB9APARP1 | |
| SCHEMBL7527945 | 0.81 | CES2 (0.53) | PRSS1PRSS2PRSS3CES2CES1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438264-B | Polysubstituted indenamine derivative and preparation method thereof | 华侨大学 | 2021-06-01 | — | — | CN | disclosed |
| EP-2436683-B1 | AGENT FOR TREATMENT OR PREVENTION OF DISEASES ASSOCIATED WITH ACTIVITY OF NEUROTROPHIC FACTORS | SUMITOMO CHEMICAL CO (JP) | 2014-05-14 | — | — | EP | disclosed |
| EP-1861380-A1 | 2-(4-OXO-4H-QUINAZOLIN-3-YL)ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS | N.V. Organon (NL) | 2007-12-05 | — | — | EP | disclosed |
| WO-2006095014-A1 | 2- (4-0X0-4H-QUINAZ0LIN-3-YL) ACETAMIDES AND THEIR USE AS VASOPRESSIN V3 ANTAGONISTS | N.V. ORGANON (NL) | 2006-09-14 | — | — | WO | disclosed |
| US-4888350-A | ANTIFERTILITY AGENTS | GRUPPO LEPETIT S.P.A. (IT) | 1989-12-19 | — | — | US | disclosed |
| EP-0080053-B1 | 3,5-DIPHENYL-1H-1,2,4-TRIAZOLES WITH CONTRAGESTATIONAL ACTIVITY, PHARMACEUTICAL COMPOSITIONS THEREOF AND PROCESS FOR THEIR PREPARATION | GRUPPO LEPETIT S.P.A. (IT) | 1986-03-05 | — | — | EP | disclosed |
| US-4535090-A | ANTIFERTILITY AGENTS; ABORTION | GRUPPO LEPETIT S.P.A. (IT) | 1985-08-13 | — | — | US | disclosed |
| US-4459302-A | CONTRACEPTIVES | GRUPPO LEPETIT, S.P.A. (IT) | 1984-07-10 | — | — | US | disclosed |
| EP-0080053-A1 | 3,5-Diphenyl-1H-1,2,4-triazoles with contragestational activity, pharmaceutical compositions thereof and process for their preparation | GRUPPO LEPETIT S.P.A. (IT) | 1983-06-01 | — | — | EP | disclosed |
| US-4379155-A | 3,5-Disubstituted-1H-1,2,4-triazole derivatives | GRUPPO LEPETIT S.P.A. (IT) | 1983-04-05 | — | — | US | disclosed |
| US-4370336-A | OXYTOCICS | GRUPPO LEPETIT S.P.A. (IT) | 1983-01-25 | — | — | US | disclosed |
| US-RE30456-E | ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS | GRUPPO LEPETIT S.P.A. (IT) | 1980-12-23 | — | — | US | disclosed |
| US-4075341-A | 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds | GRUPPO LEPETIT S.P.A. (IT) | 1978-02-21 | — | — | US | disclosed |