Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 15/20 | 0.47 |
| ▸ | CNR1 | P21554 | 8/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11610622 | 0.79 | ALDH1A1 (0.75) | KDM4EALDH1A1CNR2TSHRMAPK1 | |
| SCHEMBL16675460 | 0.78 | HTT (0.53) | KDM4EALDH1A1HPGDCYP2C19MEN1 | |
| SCHEMBL11603079 | 0.78 | KDM4E (0.56) | KDM4EALDH1A1CNR2CNR1CYP1A2 | |
| SCHEMBL11603082 | 0.76 | KDM4E (0.65) | KDM4EALDH1A1CNR2CNR1CYP1A2 | |
| SCHEMBL11601278 | 0.76 | KDM4E (0.65) | KDM4EALDH1A1CNR2MAPK1LMNA | |
| SCHEMBL3322057 | 0.75 | KDM4E (1.00) | KDM4EALDH1A1CNR2CYP1A2MAPK1 | |
| SCHEMBL11608101 | 0.75 | KDM4E (0.63) | KDM4EALDH1A1MAPK1MEN1KMT2A | |
| SCHEMBL10093021 | 0.73 | SMN1; SMN2 (0.63) | TSHRMEN1MAPTKMT2ALMNA | |
| SCHEMBL11606635 | 0.72 | ALDH1A1 (0.68) | KDM4EALDH1A1CNR2CNR1TSHR | |
| SCHEMBL17176281 | 0.72 | HTR3A (0.55) | ALDH1A1CNR2CNR1CYP1A2HPGD |
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-4069337-A | 2-SUBSTITUTED-INDOLE-1-LOWER-ALKANECARBOXAMIDES HAVING ANTI-SECRETORY OR ANTI-ULCER ACTIVITY | STERLING DRUG INC. (US) | 1978-01-17 | — | — | US | disclosed |
| US-4021448-A | ANTISECRETORY AND ANTIULCER ACTIVITIES | STERLING DRUG INC. (US) | 1977-05-03 | — | — | US | disclosed |