Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL6569435 | 0.80 | TSHR (0.49) | ALDH1A1TSHRNPC1RAB9AKMT2A | |
| SCHEMBL3906596 | 0.78 | SLC5A2 (0.52) | ALDH1A1MAPTTSHREPHX1SLC5A2 | |
| SCHEMBL324034 | 0.78 | CYP2C19 (0.48) | ALDH1A1CES2CES1KEAP1SLC6A2 | |
| SCHEMBL30846613 | 0.77 | EPHX1 (0.48) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL3289195 | 0.77 | EPHX1 (0.48) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL30846601 | 0.77 | EPHX1 (0.48) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL9482622 | 0.76 | EPHX1 (0.47) | EPHX1SLC6A2TAAR1SLC6A4SLC6A3 | |
| SCHEMBL5647796 | 0.74 | TRPA1 (0.43) | ALDH1A1MAPTTSHREPHX1SLC5A2 | |
| SCHEMBL5651198 | 0.74 | ANPEP (0.44) | ALDH1A1MAPTTSHREPHX1SLC5A2 | |
| SCHEMBL5063737 | 0.74 | CES2 (0.47) | ALDH1A1MAPTTSHRCES2CES1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0328830-A1 | 4-Heteropentacyclic-4- N-(phenyl)amido piperidine compounds | Ohmeda Pharmaceutical Products Division Inc. (US) | 1989-08-23 | — | — | EP | claimed |
| CN-1178912-C | Small molecule inhibitors of rotamase enzyme activity | ������˹ҩƷ��˾ | 2004-12-08 | — | — | CN | disclosed |
| CN-1542001-A | Small molecule inhibitors of rotamase enzyme activity | GPI����عɹ�˾ | 2004-11-03 | — | — | CN | disclosed |
| EP-1404325-A2 | METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY | GUILFORD PHARMACEUTICALS INC. (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002096420-A2 | METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY | GUILFORD PHARMACEUTICALS INC. (US) | 2002-12-05 | — | — | WO | disclosed |
| CN-1336930-A | Bridged heterocyclic derivatives | GPINIL HOLDING CORP (US) | 2002-02-20 | — | — | CN | disclosed |
| EP-1127049-A1 | BRIDGED HETEROCYCLIC DERIVATIVES | GPI NIL Holdings, Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| EP-1011650-A1 | METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS | Amgen Inc., (US) | 2000-06-28 | — | — | EP | disclosed |
| WO-2000016603-A2 | BRIDGED HETEROCYCLIC DERIVATIVES | GPI NIL HOLDINGS, INC. (US) | 2000-03-30 | — | — | WO | disclosed |
| WO-1999014998-A2 | METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS | AMGEN INC. (US) | 1999-04-01 | — | — | WO | disclosed |
| CN-1187188-A | Small molecule inhibitors of rotamase enzyme activity | GUILFORD PHARM INC (US) | 1998-07-08 | — | — | CN | disclosed |