Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CTSC | P53634 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6164081 | 0.89 | TDP1 (0.64) | TDP1ALDH1A1EPHX2KDM4ECYP3A4 | |
| SCHEMBL353959 | 0.89 | TDP1 (0.64) | TDP1ALDH1A1EPHX2KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL7759004 | 0.88 | TDP1 (0.62) | TDP1ALDH1A1EPHX2KDM4ECYP3A4 | |
| SCHEMBL6166506 | 0.88 | TDP1 (0.61) | TDP1ALDH1A1EPHX2KDM4ECYP3A4 | |
| SCHEMBL18553983 | 0.80 | ALDH1A1 (0.62) | TDP1ALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL20474616 | 0.80 | ALDH1A1 (0.62) | TDP1ALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL3006751 | 0.79 | XIAP (0.51) | TDP1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL3006748 | 0.79 | XIAP (0.51) | TDP1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL3006742 | 0.79 | XIAP (0.51) | TDP1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL14417240 | 0.77 | ALPI (0.50) | TDP1ALDH1A1KDM4ESMN1; SMN2EPHX1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640618-B1 | Tetrahydronaphthalene-peptide derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| US-5837807-A | DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-17 | — | — | US | disclosed |
| US-5644024-A | MIMICS OF PEPTIDE DOMAINS, SEQUENCE DETERMINATION, DRUGS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0729972-A1 | Peptide derivatives of tetrahydronaphthalene | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-04 | — | — | EP | disclosed |
| EP-0640618-A1 | Tetrahydronaphthalene-peptide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-01 | — | — | EP | disclosed |