Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 9/20 | 0.41 |
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6834426 | 0.83 | DRD4 (0.37) | — | |
| SCHEMBL7222852 | 0.82 | NPC1 (0.43) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6834425 | 0.81 | DRD4 (0.36) | — | |
| SCHEMBL6834466 | 0.81 | KMT2A (0.37) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6834487 | 0.81 | GAA (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1PKM | |
| SCHEMBL6834309 | 0.80 | LMNA (0.42) | MAPTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7222006 | 0.78 | NPC1 (0.38) | RAB9ANPC1ALDH1A1PKMLMNA | |
| SCHEMBL7216813 | 0.78 | F10 (0.39) | RAB9ANPC1CYP1A2MEN1KMT2A | |
| SCHEMBL7216812 | 0.78 | NPC1 (0.56) | MAPTRAB9ANPC1SMN1; SMN2CYP2C19 | |
| SCHEMBL6304803 | 0.78 | DRD4 (0.44) | ALDH1A1HPGDKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | US | disclosed |