Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CCR6 | P51684 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17730319 | 0.83 | L3MBTL1 (0.50) | KMT2AL3MBTL1TSHRLMNAKDM4E | |
| SCHEMBL10211503 | 0.83 | L3MBTL1 (0.57) | KMT2AL3MBTL1TSHRLMNAKDM4E | |
| SCHEMBL1479166 | 0.80 | TAAR1 (0.53) | TAAR1CYP3A4ALDH1A1 | |
| SCHEMBL17375554 | 0.78 | MAOB (0.55) | TAAR1CACNA1B | |
| Hydrochloric Acid SCHEMBL8508345 | 0.78 | TAAR1 (0.52) | TAAR1CYP3A4ALDH1A1 | |
| SCHEMBL171811 | 0.78 | L3MBTL1 (0.68) | KMT2AL3MBTL1LMNAKDM4EHTT | |
| SCHEMBL9692652 | 0.77 | KMT2A (0.50) | KMT2AL3MBTL1TSHRLMNAPOLB | |
| 1,3-Dipropoxybenzene SCHEMBL73716 | 0.76 | KMT2A (0.63) | KMT2ATSHRLMNAKDM4EMAPT | |
| SCHEMBL2593641 | 0.76 | TAAR1 (0.70) | TAAR1CYP3A4CYP2D6 | |
| SCHEMBL19978961 | 0.76 | KMT2A (0.49) | KMT2AL3MBTL1TSHRLMNAKDM4E |
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-0170524-B1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-15 | — | — | EP | disclosed |
| US-4968698-A | FUNGICIDES, ANTIPROTOZOA AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0170524-A2 | Nitrogen containing heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-02-05 | — | — | EP | disclosed |