Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15805914 | 0.84 | ASH1L (0.47) | POLB | |
| SCHEMBL279656 | 0.84 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL1086463 | 0.83 | PARP1 (0.63) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL28879942 | 0.83 | ALDH1A1 (0.55) | ALDH1A1GAALMNAMAPTSMN1; SMN2 | |
| SCHEMBL10457004 | 0.83 | PARP1 (0.59) | MAPTMEN1KMT2AATMTDP1 | |
| Hydrochloric Acid SCHEMBL4369235 | 0.81 | PARP1 (0.61) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| SCHEMBL1505260 | 0.81 | CA12 (0.54) | HPGDATMTDP1 | |
| Hydrochloric Acid SCHEMBL27603076 | 0.81 | PARP1 (0.61) | ALDH1A1MAPTMEN1KMT2ATDP1 | |
| Acetophenone SCHEMBL28866763 | 0.81 | MAPT (0.54) | ALDH1A1LMNAMAPTSMN1; SMN2NPC1 | |
| SCHEMBL8719323 | 0.79 | ALDH1A1 (0.51) | ALDH1A1GAALMNAMAPTSMN1; SMN2 |
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-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 |