Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8883715 | 0.88 | SMN1; SMN2 (0.37) | TDP1NPC1LMNAGRIN3BGRIN1 | |
| SCHEMBL8883369 | 0.87 | HPGD (0.37) | TDP1NPC1LMNAKDM4EIKBKB | |
| SCHEMBL8883058 | 0.85 | GRIN3B (0.38) | TDP1LMNAGRIN3BGRIN1GRIN2C | |
| SCHEMBL8882459 | 0.85 | IKBKB (0.39) | TDP1NPC1LMNATSHRCYP2C19 | |
| SCHEMBL8884552 | 0.84 | MAPT (0.36) | TDP1NPC1TSHRTP53RAB9A | |
| SCHEMBL8881872 | 0.84 | SMN1; SMN2 (0.39) | LMNACYP1A2TSHRCYP2C19KDM4E | |
| SCHEMBL8882455 | 0.83 | PTPN1 (0.41) | NPC1LMNACYP1A2CYP2C19MAPT | |
| SCHEMBL8881773 | 0.82 | HTT (0.40) | TDP1KDM4EMAPK1HTT | |
| SCHEMBL8882969 | 0.82 | PTPN1 (0.43) | NPC1LMNATSHRTP53MAPT | |
| SCHEMBL8884367 | 0.82 | CYP1A2 (0.40) | CYP1A2KDM4EMAPTMAPK1SMN1; 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 |
|---|---|---|---|---|---|---|---|
| US-5620995-A | Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-04-15 | — | — | US | disclosed |