Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.58 |
| ▸ | KDM1A | O60341 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | HTR1A | P08908 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6896554 | 0.85 | SIGMAR1 (0.67) | SIGMAR1L3MBTL1HPGD | |
| SCHEMBL6892609 | 0.83 | SIGMAR1 (0.65) | MAOASIGMAR1L3MBTL1 | |
| SCHEMBL10395199 | 0.78 | SMN1; SMN2 (0.64) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL283735 | 0.78 | SIGMAR1 (0.81) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL2538819 | 0.76 | ALDH1A1 (0.61) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL5028920 | 0.76 | SIGMAR1 (0.77) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL13937400 | 0.76 | SIGMAR1 (0.77) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL1231267 | 0.76 | L3MBTL1 (0.62) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL8140699 | 0.76 | SIGMAR1 (0.77) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL6896423 | 0.75 | TAAR1 (0.61) | NPC1RAB9ASMN1; SMN2LMNATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | claimed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | claimed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | claimed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |