Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | XBP1 | P17861 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 9/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8545149 | 0.94 | ALDH1A1 (0.49) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8543504 | 0.88 | ALOX15 (0.47) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8538422 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL4341047 | 0.88 | ALDH1A1 (0.48) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8539028 | 0.87 | GRIN1 (0.54) | CYP1A2GRIN1MEN1KMT2A | |
| SCHEMBL8545607 | 0.86 | ALOX15 (0.47) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8540699 | 0.84 | HPGD (0.43) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8542736 | 0.83 | ALOX15 (0.41) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8835573 | 0.83 | ALOX15 (0.46) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 | |
| SCHEMBL8540435 | 0.82 | TP53 (0.48) | ALDH1A1HPGDCYP1A2XBP1CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5189054-A | 3-amidoindolyl derivatives and pharmaceutical compositions thereof | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-02-23 | — | — | US | claimed |
| EP-0483881-B1 | 3-Amidoindolyl derivatives | MERRELL PHARMA INC (US) | 1998-01-21 | — | — | EP | disclosed |
| 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 |
| US-5491153-A | 3-amidoindolyl derivative | MERRELL DOW PHARMACEUTICALS INC. (US) | 1996-02-13 | — | — | US | disclosed |
| US-5189054-A | 3-amidoindolyl derivatives and pharmaceutical compositions thereof | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-02-23 | — | — | US | disclosed |
| EP-0483881-A1 | 3-Amidoindolyl derivatives | MERRELL PHARMACEUTICALS INC. (US) | 1992-05-06 | — | — | EP | disclosed |