Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | XBP1 | P17861 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835393 | 0.88 | GRIN1 (0.53) | KDM4EGRIN1MCL1 | |
| SCHEMBL8835832 | 0.80 | HPGD (0.45) | ALOX15HPGDKDM4ENPC1CASP3 | |
| SCHEMBL8835575 | 0.79 | ALOX15 (0.51) | ALOX15HPGDGRIN1TP53ALDH1A1 | |
| SCHEMBL8836023 | 0.77 | MDM2 (0.44) | HPGDKDM4ECASP3RAB9AMAPT | |
| SCHEMBL8835573 | 0.75 | ALOX15 (0.46) | ALOX15HPGDKDM4EGRIN1LMNA | |
| SCHEMBL8835837 | 0.73 | ALDH1A1 (0.39) | ALOX15HPGDKDM4ENPC1CASP3 | |
| SCHEMBL4341047 | 0.72 | ALDH1A1 (0.48) | ALOX15HPGDKDM4EGRIN1NPC1 | |
| SCHEMBL8541953 | 0.71 | ALOX15 (0.48) | ALOX15HPGDKDM4EMAPTTP53 | |
| SCHEMBL8545149 | 0.71 | ALDH1A1 (0.49) | ALOX15HPGDKDM4EGRIN1MAPT | |
| SCHEMBL8542212 | 0.69 | ALOX15 (0.48) | ALOX15HPGDKDM4ERAB9AMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5703107-A | CENTRAL NERVOUS SYSTEM DISORDERS; ANALGESICS; ANTIEPILEPTIC AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-12-30 | — | — | US | disclosed |
| US-5675018-A | 3-amidoindolyl derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1997-10-07 | — | — | US | disclosed |