Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.81 |
| ▸ | NPC1 | O15118 | 4/20 | 0.81 |
| ▸ | ATM | Q13315 | 1/20 | 0.81 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.60 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | CA7 | P43166 | 1/20 | 0.59 |
| ▸ | CA9 | Q16790 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL12447384 | 1.00 | RAB9A (0.81) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL12447335 | 0.91 | RAB9A (0.72) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL4206605 | 0.90 | CA12 (0.71) | RAB9ANPC1ATMSLC18A3ALDH1A1 | |
| SCHEMBL4465735 | 0.90 | RAB9A (0.75) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL27860957 | 0.90 | RAB9A (0.71) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL16565829 | 0.90 | RAB9A (0.67) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL13212978 | 0.90 | RAB9A (0.75) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL10720211 | 0.86 | CA12 (0.76) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL23351466 | 0.85 | RAB9A (0.65) | RAB9ANPC1ATMSLC18A3SMN1; SMN2 | |
| SCHEMBL16712998 | 0.85 | RAB9A (0.68) | RAB9ANPC1ATMSLC18A3SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018056854-A1 | BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS | BIAL - PORTELA & Cª, S.A. (PT) | 2018-03-29 | — | — | WO | disclosed |