Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5736978 | 0.85 | KMT2A (0.50) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL10693803 | 0.80 | MMP8 (0.39) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL5737042 | 0.79 | KMT2A (0.48) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL3714554 | 0.78 | KMT2A (0.45) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL23203481 | 0.78 | ALDH1A1 (0.43) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL28297783 | 0.77 | MAPT (0.36) | KMT2AALDH1A1TDP1MEN1KDM4E | |
| SCHEMBL7494802 | 0.76 | NLRP3 (0.42) | KMT2AALDH1A1TSHRTDP1MEN1 | |
| SCHEMBL16342407 | 0.75 | TSHR (0.41) | MMP8KMT2AALDH1A1TSHRTDP1 | |
| SCHEMBL3412295 | 0.75 | PTGS2 (0.44) | KMT2ASMN1; SMN2 | |
| SCHEMBL6904885 | 0.75 | CES2 (0.44) | MMP8KMT2AALDH1A1TSHRTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020246903-A1 | DOPAMINE-Β-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2020-12-10 | — | — | WO | disclosed |
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |
| WO-2018056855-A1 | DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |