Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1979336 | 0.87 | NPC1 (0.44) | ALDH1A1PIN1HPGDMAPTLMNA | |
| SCHEMBL1979335 | 0.87 | PIN1 (0.37) | ALDH1A1TDP1PIN1L3MBTL1HPGD | |
| SCHEMBL1978964 | 0.82 | SCD (0.39) | ALDH1A1TDP1PIN1HPGDMAPT | |
| SCHEMBL7159716 | 0.76 | ALDH1A1 (0.71) | ALDH1A1TDP1L3MBTL1MAPTSMN1; SMN2 | |
| SCHEMBL1979322 | 0.74 | MERTK (0.47) | ALDH1A1TDP1PIN1HPGDMAPT | |
| SCHEMBL25208702 | 0.73 | PIN1 (0.47) | ALDH1A1TDP1PIN1L3MBTL1MAPT | |
| SCHEMBL1100650 | 0.73 | PIN1 (0.50) | ALDH1A1TDP1PIN1L3MBTL1HPGD | |
| SCHEMBL29811740 | 0.73 | PIN1 (0.50) | ALDH1A1TDP1PIN1L3MBTL1HPGD | |
| SCHEMBL30991376 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TDP1PIN1L3MBTL1HPGD | |
| SCHEMBL13982693 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TDP1PIN1L3MBTL1HPGD |
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-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |