Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 3/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | CHIT1 | Q13231 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| N-Benzylmethylamine SCHEMBL30671659 | 0.85 | MAPT (0.63) | KDM4EMAPTCYP3A4SMN1; SMN2LMNA | |
| SCHEMBL13136705 | 0.79 | KEAP1 (0.48) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| SCHEMBL8016874 | 0.78 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| SCHEMBL31265560 | 0.78 | SLC6A4 (0.57) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| SCHEMBL11468455 | 0.78 | AKR1B1 (0.55) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL11484601 | 0.77 | AKR1B1 (0.53) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| SCHEMBL19567289 | 0.76 | SLC6A4 (0.46) | SLC6A2SLC6A4SLC6A3KDM4EMAPT | |
| Trifluoroacetic Acid SCHEMBL10698406 | 0.75 | ALDH1A1 (0.53) | KDM4EMAPTLMNAALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL5073700 | 0.75 | TAAR1 (0.70) | SLC6A2SLC6A4SLC6A3CYP3A4HDAC3 | |
| SCHEMBL3400989 | 0.74 | SLC6A4 (0.50) | SLC6A2SLC6A4SLC6A3KDM4EMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0763016-B1 | COMPOSITIONS AND METHODS FOR TREATING MAST-CELL MEDIATED CONDITIONS | AXYS PHARM INC (US) | 2000-01-26 | — | — | EP | disclosed |
| US-5656660-A | AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR | ARRIS PHARMACEUTICAL CORPORATION (US) | 1997-08-12 | — | — | US | disclosed |