Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | ATM | Q13315 | 1/20 | 0.65 |
| ▸ | FAAH | O00519 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9321429 | 0.86 | ALDH1A1 (0.75) | ATMFAAHALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL6681439 | 0.85 | ALDH1A1 (0.83) | ALOX15ATMALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL10589645 | 0.83 | KMT2A (0.72) | ATMFAAHALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL3093924 | 0.83 | FAAH (0.70) | CYP2D6CYP2C9ALOX15TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL8821976 | 0.83 | SIGMAR1 (0.61) | CYP2D6CYP2C9ALOX15TSHRCYP2C19 | |
| SCHEMBL16225922 | 0.82 | ALDH1A1 (0.74) | FAAHALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL9321469 | 0.82 | TSHR (0.55) | CYP2D6CYP2C9ALOX15TSHRCYP2C19 | |
| SCHEMBL9320657 | 0.81 | MEN1 (0.83) | ATMFAAHALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1713819 | 0.80 | KDM4E (0.63) | ALOX15ATMALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL1476636 | 0.79 | SIGMAR1 (0.70) | TSHRALDH1A1MEN1KMT2ASIGMAR1 |
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-5998416-A | Piperazine, piperidine and tetrahydropyridine derivatives as 5-HT receptor agonists | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |